pyrazoles-derivatives

An article Household disaster preparedness in the Islamic Republic of Iran: 2015 estimation WOS:000527367000004 published article about MANAGEMENT; EDUCATION; PROGRAM; RISK in [Ardalan, Ali; Yusefi, Homa] Univ Tehran Med Sci, Sch Publ Hlth, Dept Disaster & Emergency Hlth, Tehran, Iran; [Ardalan, Ali] Harvard Univ, Harvard Humanitarian Initiat, Cambridge, MA 02138 USA; [Yusefi, Homa; Rouhi, Narges; Banar, Ahad] Minist Hlth & Med Educ, Dept Publ Hlth, Disaster Risk Management Off, Tehran, Iran; [Sohrabizadeh, Sanaz] Shahid Beheshti Univ Med Sci, Sch Publ Hlth & Safety, Dept Hlth Disasters & Emergencies, Tehran, Iran in 2020, Cited 25. Product Details of 83-10-3. The Name is 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid. Through research, I have a further understanding and discovery of 83-10-3

Background: The Islamic Republic of Iran is at high risk of natural disasters. Households are the basic unit of society and they need to be prepared for disasters. Aims: This study assessed disaster preparedness among Iranian households in 2015. Methods: Using multistage cluster sampling, 2968 households in the catchment area of 53 public health departments in all 30 provinces of the Islamic Republic of Iran were surveyed on the disaster preparedness measures they had taken in the past year. The data collection questionnaire included 15 disaster preparedness measures. The mean preparedness score was calculated and its association with residence (urban versus rural), house ownership (owner versus renter) and education level of the head of the household (illiterate, elementary school, middle school, high school, university) was evaluated. Results: The mean score for household disaster preparedness was 9.3 out of 100 (95% confidence interval: 8.3-10.3). Multivariate analysis showed higher preparedness among rural than urban households (P = 0.02). Higher education level was positively associated with a higher preparedness score (P < 0.001), as was house ownership (P < 0.001). Conclusion: The level of household disaster preparedness in the Islamic Republic of Iran in 2015 was low. In line with the first priority for action of the Sendai Framework for Disaster Risk Reduction, the current study provides an overall picture of household disaster preparedness in the Islamic Republic of Iran. This estimation can be used as a baseline value for policy-making, planning, and evaluation of public awareness of disasters in the country. Product Details of 83-10-3. Welcome to talk about 83-10-3, If you have any questions, you can contact Ardalan, A; Yusefi, H; Rouhi, N; Banar, A; Sohrabizadeh, S or send Email.

Reference:
Patent; Shanghai Pharmaceutical Industry Institute; China Pharmaceutical Industry Zongyuan; Li Jianqi; Huang Daowei; Wang Wenya; Zhang Zhiguo; Jiang Ling; (45 pag.)CN107286140; (2017); A;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Recommanded Product: 86-92-0. I found the field of Chemistry very interesting. Saw the article The selective condensation of pyrazolones to isatins in aqueous medium published in 2020, Reprint Addresses Zhang, Y; Luo, HQ (corresponding author), Garman Normal Univ, Key Lab Organopharmaceut Chem, Ganzhou 341000, Peoples R China.. The CAS is 86-92-0. Through research, I have a further understanding and discovery of 3-Methyl-1-p-tolyl-5-pyrazolone.

The selective condensation of pyrazolones with isatins using water as the reaction medium is presented. This strategy provides an environmentally benign synthetic route to synthesize various potentially bioactive pyrazolone substituted oxindoles. (C) 2020 Elsevier Ltd. All rights reserved.

Recommanded Product: 86-92-0. Welcome to talk about 86-92-0, If you have any questions, you can contact Zhang, Y; Nie, LJ; Luo, L; Mao, JX; Liu, JX; Xu, GH; Chen, DL; Luo, HQ or send Email.

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Computed Properties of C12H12N2O3. Authors Rodrigues, T; Helene, O in AMER PHYSICAL SOC published article about in [Rodrigues, Tulio; Helene, Otaviano] Univ Sao Paulo, Phys Inst, Expt Phys Dept, POB 66318, BR-05315970 Sao Paulo, Brazil in 2020, Cited 43. The Name is 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid. Through research, I have a further understanding and discovery of 83-10-3

This study provides a phenomenological method to describe the exponential growth, saturation, and decay of coronavirus disease 2019 (COVID-19) deaths and infections via a Monte Carlo approach. The calculations connect Gompertz-type trial distributions of infected people per day with the distribution of deaths adopting two gamma distributions to account for the elapsed time that encompass the incubation and symptom onset to death periods. The analyses include death data from the USA, Brazil, Mexico, the United Kingdom (UK), India, and Russia, which comprise the four countries with the highest number of deaths and the four countries with the highest number of confirmed cases, as of August 07, 2020, according to theWorld Health Organization webpage. The Gompertz functions were fitted to the data of weekly averaged confirmed deaths per day by mapping the chi(2) values. The uncertainties, variances, and covariances of the model parameters were calculated by propagation, taking into account the standard errors of the data for each epidemiological week. The fitted functions for the average deaths per day for the USA and India have an upward trend, with the former having a higher growth rate and quite huge uncertainties. For Mexico, the UK, and Russia, the fits are consistent with a downward-sloping pattern. For Brazil we found a subtle trend down but with significant uncertainties. The USA, UK, and India data showed first peaks with higher growth rates compared with the second ones (4.2, 2.2, and 3.5 times higher, respectively), demonstrating the benefits of nonpharmacological interventions of sanitary measures and social distance flattening the secondary peaks of the pandemic. For the case of the USA, however, a third peak seems quite plausible, most likely related with the recent relaxation policies. Brazil’s data are satisfactorily described by two highly overlapped Gompertz functions with similar growth rates, suggesting a two-step process for the pandemic spreading. For the cases of Mexico and Russia single peaks with smoother slopes fitted the data satisfactorily. The 95% confidence intervals for the total number of deaths (x10(3)) predicted by the model for August 31, 2020, are 160 to 220, 110 to 130, 59 to 62, 41.3 to 41.4, 54 to 63, and 16.0 to 16.7 for the USA, Brazil, Mexico, the UK, India, and Russia, respectively. Our estimates for the point prevalences of infections are compared with some preliminary data from serological studies and/or model calculations focused on the USA, Brazil, and UK scenarios. The point prevalences and 95% confidence intervals for August 1, 2020, were estimated to be 5.7 (3.9-7.5)%, 8.9 (7.4-10.3)%, 9.3 (8.3-10.3)%, 5.7 (4.5-6.9)%, 0.9 (0.8-1.0%), and 1.2 (1.0-1.3)% for the USA, Brazil, Mexico, the UK, India, and Russia, respectively. The method represents an effective few-parameter framework to estimate the line shape of the infection curves and the uncertainties of the relevant parameters based on the actual death data of a pandemic.

Computed Properties of C12H12N2O3. Bye, fridends, I hope you can learn more about C12H12N2O3, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Patent; Shanghai Pharmaceutical Industry Institute; China Pharmaceutical Industry Zongyuan; Li Jianqi; Huang Daowei; Wang Wenya; Zhang Zhiguo; Jiang Ling; (45 pag.)CN107286140; (2017); A;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Computed Properties of C5H8N2. I found the field of Chemistry very interesting. Saw the article A sensitive method for the determination of ultra trace levels of reactive bromine species in water using LC-MS/MS published in 2019.0, Reprint Addresses Lin, KD (corresponding author), Xiamen Univ, Coll Environm & Ecol, Xiamen 361102, Peoples R China.. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole.

The purpose of this study was to develop and validate a sensitive method for the determination of ultra trace levels of reactive bromine species (RBS) in water. To derivatized RBS, water samples were transferred into vials pre-fortified with an appropriate dose of derivative reagent 3,5-dimethyl-1H-pyrazole (DMPZ). RBS in water samples could be rapidly and stoichiometrically (1:1) derivatized to 4-bromo-3,5-dimethyl-1H-pyrazole, which was directly analyzed on an ultra performance liquid chromatography coupled with triple quadrupole tandem mass spectrometry. Parameters influencing the derivatization efficiency including reaction time, temperature, DMPZ dose, and pH were optimized to be: a molar concentration ratio of DMPZ to RBS a 100:1, pH 5-10, and reaction for 10 min at room temperature. In addition, near 100% of RBS was recovered when using water with salinity of 0-55 as the spiking matrices, suggesting that salinity had negligible effect on the derivatization efficiency. Under the optimized conditions, interday and intraday analyses showed that the recoveries of RBS ranged from 88.0% to 109.8% for samples spiked with 18.0-540 pmol L-1 of RBS, with relative standard deviations less than 3.7%. The method limit of detection and limit of quantification for RBS were 5.8 pmol L-1 and 18.0 pmol L-1, respectively. Compared with currently available methods, our method greatly improved the analytical sensitivity by lowering the limit of detection for more than 100 times. The developed method displayed high reliability and reproducibility in the analysis of ultra trace levels of RBS in seawater and other real fresh water samples.

Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.. Computed Properties of C5H8N2

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Formula: C5H8N2. In 2019.0 J MOL LIQ published article about WASTE-WATER; BPA; OZONATION; REMOVAL in [MubarakAli, Davoodbasha; Lee, Sang-Yul; Kim, Jung-Wan] Incheon Natl Univ, Coll Life Sci & Bioengn, Div Bioengn, Incheon, South Korea; [MubarakAli, Davoodbasha] Korea Aerosp Univ, Dept Mat Engn, Ctr Surface Technol & Applicat CeSTA, Goyang, South Korea; [MubarakAli, Davoodbasha; Srinivasan, Hemalatha; Kim, Jung-Wan] BS Abdur Rahman Crescent Inst Sci & Technol, Sch Life Sci, Chennai, Tamil Nadu, India; [Park, Jihae; Han, Taejun] Incheon Natl Univ, Coll Life Sci & Bioengn, Dept Marine Sci, Incheon, South Korea in 2019.0, Cited 28.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Bisphenol A (BPA) is a potential endocrine disruptor. It causes hormonal imbalances and also affects aquatic organisms when discharged in untreated form into the ecosystems. Many attempts have been made to degrade BPA in the liquid phase using chemical and or biological methods, which often require multiple steps and are not effective to any great extent. In this study, solution plasma process (SPP) was adopted for the degradation of BPA in liquid phase. BPA at a constant concentration (100 mg. mL(-1)) was degraded using SPP at various of discharge times (0-45 min) and various pH (3-6). Physical conditions for SPP were voltage at 800 V, frequency 35 kHz with bandwidth of 2 mu S and unipolar and bipolar power supplies were used. The degraded BPA was extracted and investigated for the degradation adopting Gas chromatography-Mass Spectroscopy (GC-MS). During SPP, intermediates were formed at 15 min of treatment, and degradation was achieved to a maximum of 86% at 18 min. The GC-MS results revealed that dimethyl ester (91%), hydroxyl-bicyclooctenone (56%), imidazole (23%), pyridine (10%) and benzene (9%) fragments were formed abundantly due to plasma treatment. Plasma-treated BPA was not toxic to aquatic fern, Lemna minor as revealed in relative growth rate (RGR(area)) analysis. SPP causes release of free radicals, which are actively involved in BPA degradation without any additive chemicals. The approach in this study could be projected as an effective SPP-based clean-technology for degradation of toxicants in the aquatic ecosystems and also for effective wastewater treatment. (C) 2018 Published by Elsevier B.V.

Welcome to talk about 67-51-6, If you have any questions, you can contact MubarakAli, D; Park, J; Han, T; Srinivasan, H; Lee, SY; Kim, JW or send Email.. Formula: C5H8N2

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

HPLC of Formula: C5H8N2. I found the field of Chemistry very interesting. Saw the article VOLATILE PROFILE OF GREEN COFFEE BEANS FROM COFFEA ARABICA L. PLANTS GROWN AT DIFFERENT ALTITUDES IN ETHIOPIA published in 2019.0, Reprint Addresses Chandravanshi, BS (corresponding author), Addis Ababa Univ, Coll Nat Sci, Dept Chem, POB 1176, Addis Ababa, Ethiopia.. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole.

This study was aimed to identify volatile compounds of 31 green coffee bean samples and evalute their correlation with altitude of the coffee plants grown in two zones (Gedeo and Jimma) in Ethiopia. A total of 81 different compounds were detected. The contents of dominant volatile compounds in green coffee beans were in the range: trans-linalooloxide (3.24-19.13%), linalool (1.56-21.76%), 2-methoxy-4-vinylphenol (2.34-15.08%) and cis-linalooloxide (1.03-13.27%). In addition, benzene acetaldehyde (0.45-10.97%), 2-heptanol (0.67-8.49%), alpha-terpineol (0.64-6.52%), phenylethyl alcohol (0.44-4.98%) and furfural (0.92-5.3%) were the next dominant compounds. The volatile compounds identified in the green coffee beans are groups of alcohols, aldehydes, ketones, pyrazines, pyridines, and furans. The volatile compounds in green coffee beans showed either weak positive or weak negative correlation with the altitude of coffee plants indicating that variation in altitude of the coffee plants does not significantly influence the volative compounds of green coffee beans.

Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.. HPLC of Formula: C5H8N2

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Authors Cuellar, E; Pastor, L; Garcia-Herbosa, G; Nganga, J; Angeles-Boza, AM; Diez-Varga, A; Torroba, T; Martin-Alvarez, JM; Miguel, D; Villafane, F in AMER CHEMICAL SOC published article about CARBON-DIOXIDE; ACID-BASE; ELECTROCATALYTIC REDUCTION; PYRAZOLYL COMPLEXES; MOLECULAR-STRUCTURE; METAL-COMPLEXES; RUTHENIUM(II); CATALYSTS; PH; FORMATE in [Cuellar, Elena; Pastor, Laura; Martin-Alvarez, Jose M.; Miguel, Daniel; Villafane, Fernando] Univ Valladolid, GIR MIOMeT IU Cinquima Quim Inorgan, Fac Ciencias, Campus Miguel Delibes, Valladolid 47011, Spain; [Garcia-Herbosa, Gabriel; Diez-Varga, Alberto; Torroba, Tomas] Univ Burgos, Fac Ciencias, Dept Quim, Burgos 09001, Spain; [Nganga, John; Angeles-Boza, Alfredo M.] Univ Connecticut, Dept Chem, Storrs, CT 06269 USA in 2021.0, Cited 78.0. SDS of cas: 67-51-6. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

New cis-(1,2-azole)-aquo bis(2,2′-bipyridyl)-ruthenium(II) (1,2-azole (az*H) = pzH (pyrazole), dmpzH (3,5-dimethylpyrazole), and indzH (indazole)) complexes are synthesized via chlorido abstraction from cis-[Ru(bipy)(2)Cl(az*H)]OTf. The latter are obtained from cis-[Ru(bipy)(2)Cl-2] after the subsequent coordination of the 1,2-azole. All the compounds are characterized by H-1, C-13, N-15 NMR spectroscopy as well as IR spectroscopy. Two chlorido complexes (pzH and indzH) and two aquo complexes (indzH and dmpzH) are also characterized by X-ray diffraction. Photophysical and electrochemical studies were carried out on all the complexes. The photophysical data support the phosphorescence of the complexes. The electrochemical behavior of all the complexes in an Ar atmosphere indicate that the oxidation processes assigned to Ru(II) -> Ru(III) occurs at higher potentials in the aquo complexes. The reduction processes under Ar lead to several waves, indicating that the complexes undergo successive electron-transfer reductions that are centered in the bipy ligands. The first electron reduction is reversible. The electrochemical behavior in CO2 media is consistent with CO2 electrocatalyzed reduction, where the values of the catalytic activity [i(cat)(CO2)/i(p)(Ar)] ranged from 2.9 to 10.8. Controlled potential electrolysis of the chlorido and aquo complexes affords CO and formic acid, with the latter as the major product after 2 h. Photocatalytic experiments in MeCN with [Ru(bipy)(3)]Cl-2 as the photosensitizer and TEOA as the electron donor, which were irradiated with >300 nm light for 24 h, led to CO and HCOOH as the main reduction products, achieving a combined turnover number (TONCO+HCOO-) as high as 107 for 2c after 24 h of irradiation.

SDS of cas: 67-51-6. Welcome to talk about 67-51-6, If you have any questions, you can contact Cuellar, E; Pastor, L; Garcia-Herbosa, G; Nganga, J; Angeles-Boza, AM; Diez-Varga, A; Torroba, T; Martin-Alvarez, JM; Miguel, D; Villafane, F or send Email.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

SDS of cas: 86-92-0. Recently I am researching about C-H ACTIVATION; SUBSTITUTED CINNOLINES; RING-SYSTEMS; CYCLIZATION; INHIBITORS; DERIVATIVES; DISCOVERY; ANTITUMOR; ANALOGS; ACCESS, Saw an article supported by the NSFCNational Natural Science Foundation of China (NSFC) [21572138]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Liu, CF; Liu, M; Dong, L. The CAS is 86-92-0. Through research, I have a further understanding and discovery of 3-Methyl-1-p-tolyl-5-pyrazolone

A highly efficient iridium-catalyzed cascade annulation of pyrazolones and sulfoxonium ylides to access various pyrazolo[1,2-alpha]cinnoline derivatives has been achieved. This novel approach expanded the application scope of coupling partners to ylides. The control experiments were performed to give insight into the mechanism of this reaction.

Bye, fridends, I hope you can learn more about C11H12N2O, If you have any questions, you can browse other blog as well. See you lster.. SDS of cas: 86-92-0

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Recently I am researching about ANION-PI INTERACTIONS; X-RAY-STRUCTURE; CRYSTAL-STRUCTURE; SUPRAMOLECULAR ASSOCIATION; METAL-COMPLEXES; PYRIDINE-2,6-DICARBOXYLIC ACID; STRUCTURAL FEATURES; HOLE INTERACTION; HYDROGEN-BOND; CU(II), Saw an article supported by the University Grants Commission (UGC), New DelhiUniversity Grants Commission, India [42-377/2013]; ASTEC, DST, Govt. of Assam [ASTEC/S&T/206/2015-16/015]; MINECO/AEI of Spain (FEDER funds) [CTQ2017-85821-R]. Published in ELSEVIER in AMSTERDAM ,Authors: Das, A; Sharma, P; Frontera, A; Verma, AK; Barcelo-Oliver, M; Hussain, S; Bhattacharyy, MK. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole. Recommanded Product: 67-51-6

Two new coordination compounds viz. [Ni(2,6-PDC)(Hdmpz)(H2O)(2)]center dot H2O (1) and [Zn(3-CNpy)(2)Cl-2] (2) (2,6-PDC = 2,6-pyridinedicarboxylate, Hdmpz = 3,5-dimethylpyrazole, 3-CNpy = 3-cyanopyridine) have been synthesized and characterized using elemental analysis, thermogravimetric analysis, electronic, infrared spectroscopy and single crystal X-ray diffraction techniques. Crystal structure analyses reveal the presence of supramolecular assemblies involving interesting dimers with unconventional contacts in the compounds. DFT (Density Functional Theory) calculations on the supramolecular dimers in the crystal structure of 1 reveal that the sum of contributions of anion-pi, pi-pi and other long range interactions due to the approximation of the bulk monomers is energetically significant. Molecular Electrostatic Potential (MEP) surface and Quantum Theory of Atoms in Molecules (QTAIM) analyses on the interesting supramolecular dimers of the crystal structures of 2 reveal the presence of unconventional anion center dot center dot center dot pi contacts involving coordinated chlorido ligands and C-H center dot center dot center dot pi(nitrile) interactions involving the pi-system of the nitrile moiety of 3-cyanopyridine. Remarkably, Atoms in Molecules analysis also confirms the existence of energetically significant unconventional anti-parallel nitrile center dot center dot center dot nitrile interaction in the crystal structure of 2. Cell cytotoxicity of the compounds performed in Dalton’s lymphoma (DL) malignant cancer cell line showed effective potency with negligible cytotoxicity in normal cells (similar to 12%). It is interesting that compound 1has excellent cytotoxic potency with IC50 closer to cisplatin and can bind different biological targets with similar signalling pathways. Structure activity relationship (SAR) analyses of 1 and 2 based on pharmacophore modelling reveal that the molecular features associated with the structures of the compounds play important role in the biological activities. (C) 2020 Elsevier B.V. All rights reserved.

Recommanded Product: 67-51-6. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Das, A; Sharma, P; Frontera, A; Verma, AK; Barcelo-Oliver, M; Hussain, S; Bhattacharyy, MK or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

An article Energetically significant nitrile center dot center dot center dot nitrile and unconventional C-H center dot center dot center dot pi(nitrile) interactions in pyridine based Ni(II) and Zn(II) coordination compounds: Antiproliferative evaluation and theoretical studies WOS:000587468000089 published article about ANION-PI INTERACTIONS; X-RAY-STRUCTURE; CRYSTAL-STRUCTURE; SUPRAMOLECULAR ASSOCIATION; METAL-COMPLEXES; PYRIDINE-2,6-DICARBOXYLIC ACID; STRUCTURAL FEATURES; HOLE INTERACTION; HYDROGEN-BOND; CU(II) in [Das, Amal; Sharma, Pranay; Bhattacharyy, Manjit K.] Cotton Univ, Dept Chem, Gauhati 781001, Assam, India; [Frontera, Antonio; Barcelo-Oliver, Miquel] Univ Ies Illes Balears, Dept Quim, Crta Valldemossa Km 7-7, Palma De Mallorca 07122, Baleares, Spain; [Verma, Akalesh K.] Cotton Univ, Dept Zool, Cell & Biochem Technol Lab, Gauhati 781001, Assam, India; [Hussain, Sahid] Indian Inst Technol Patna, Dept Chem, Patna 801103, Bihar, India in 2021.0, Cited 128.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. SDS of cas: 67-51-6

Two new coordination compounds viz. [Ni(2,6-PDC)(Hdmpz)(H2O)(2)]center dot H2O (1) and [Zn(3-CNpy)(2)Cl-2] (2) (2,6-PDC = 2,6-pyridinedicarboxylate, Hdmpz = 3,5-dimethylpyrazole, 3-CNpy = 3-cyanopyridine) have been synthesized and characterized using elemental analysis, thermogravimetric analysis, electronic, infrared spectroscopy and single crystal X-ray diffraction techniques. Crystal structure analyses reveal the presence of supramolecular assemblies involving interesting dimers with unconventional contacts in the compounds. DFT (Density Functional Theory) calculations on the supramolecular dimers in the crystal structure of 1 reveal that the sum of contributions of anion-pi, pi-pi and other long range interactions due to the approximation of the bulk monomers is energetically significant. Molecular Electrostatic Potential (MEP) surface and Quantum Theory of Atoms in Molecules (QTAIM) analyses on the interesting supramolecular dimers of the crystal structures of 2 reveal the presence of unconventional anion center dot center dot center dot pi contacts involving coordinated chlorido ligands and C-H center dot center dot center dot pi(nitrile) interactions involving the pi-system of the nitrile moiety of 3-cyanopyridine. Remarkably, Atoms in Molecules analysis also confirms the existence of energetically significant unconventional anti-parallel nitrile center dot center dot center dot nitrile interaction in the crystal structure of 2. Cell cytotoxicity of the compounds performed in Dalton’s lymphoma (DL) malignant cancer cell line showed effective potency with negligible cytotoxicity in normal cells (similar to 12%). It is interesting that compound 1has excellent cytotoxic potency with IC50 closer to cisplatin and can bind different biological targets with similar signalling pathways. Structure activity relationship (SAR) analyses of 1 and 2 based on pharmacophore modelling reveal that the molecular features associated with the structures of the compounds play important role in the biological activities. (C) 2020 Elsevier B.V. All rights reserved.

SDS of cas: 67-51-6. Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics