Tag: M.W:200-300

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is C16H12N4O. In an article, author is Rejnhardt, Piotr,once mentioned of 330792-70-6, Recommanded Product: 330792-70-6.

Crystal structure and vibrational spectra of salts of 1H-pyrazole-1-carboxamidine and its protonation route

Crystal structures of five salts of 1H-pyrazole-1-carboxamidine, PyCA, with various inorganic acids were determined, (HPyCA)Cl, (HPyCA)Cl center dot H2O, (HPyCA)Br, (HPyCA)(2)(I)I-3, and (HPyCA)HSO4. Theoretical calculations of the protonation route of PyCA showed that the cationic form present in the studied crystals is energetically privileged. Tautomeric equilibrium constants indicated two isomers as the most stable neutral forms. Calculations for two other tautomers failed resulting in pyrazole and carbodiimid tautomer of cyanamide. Such decomposition is important in a view of guanylation reaction. Hydrogen bonding patterns were studied by means of the graph-set approach. Similarities of the patterns in different crystal structures were demonstrated by the algebraic relations between descriptors of the patterns. The strength of hydrogen bonding network in the crystals was assessed analyzing vibrational spectra. The bands were assigned on the basis of theoretical calculations for the complex [(HPyCA)(2)Cl-4](2-) ion and potential energy distribution analysis. The strength of hydrogen bonds was set in the following ascending series (HPyCA)(2)(I)I-3 (4) < (HPyCA)Br (3) < (HPyCA)Cl (1) < (HPyCA)Cl center dot H2O (2) < (HPyCA)HSO4 (5). Interested yet? Keep reading other articles of 330792-70-6, you can contact me at any time and look forward to more communication. Recommanded Product: 330792-70-6.

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

Chemistry is an experimental science, Recommanded Product: 83-07-8, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 83-07-8, Name is 4-Aminoantipyrine, molecular formula is C11H13N3O, belongs to pyrazoles-derivatives compound. In a document, author is Rao, Mandava Venkata Basaveswara.

In Silico and Biological Evaluation of N-(2-methoxyphenyl) Substituted Pyrazoles Accessed via a Sonochemical Method

In view of remarkable biological properties including anticancer activities of N-aryl pyrazoles we have explored N-(2-methoxyphenyl) substituted pyrazoles and related derivatives as potential cytotoxic agents. In silico methods were adopted to understand/predict the biochemical and physiological effects, toxicity, and biological profiles of these compounds thereby assessing the potential drug-likeness of the hit molecule. The target compounds were conveniently prepared via a sonochemical method involving the C-N bond forming reactions in the presence of CuI in DMSO. A library of N-aryl pyrazole derivatives were synthesized via coupling of iodoarenes with pyrazole whereas the use of other N-heteroarene such as imidazole and pyrrole in place of pyrazole afforded the corresponding product. The in vitro evaluation of all these compounds was carried out against MDAMB-231 and MCF-7 cell lines and subsequently against SIRT1. The pyrazole derivative 3 c showed encouraging growth inhibition of both MDAMB-231 and MCF-7 cell lines (59 and 48 % at 10 mu M, respectively) and inhibition of SIRT1 (IC50 similar to 6.21 +/- 0.42 mu M) in vitro. The molecular docking studies suggested H-bonding (involving OMe group), Van der Waals and hydrophobic interactions of 3 c with important amino acid residues in the catalytic domain of SIRT1. Overall, cell-based as well as enzyme assay, molecular modelling, in silico ADME/TOX prediction and in vitro stability studies suggested 3 c as a potential hit molecule.

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 83-07-8. Recommanded Product: 83-07-8.

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

Chemistry is an experimental science, Application In Synthesis of 4-Aminoantipyrine, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 83-07-8, Name is 4-Aminoantipyrine, molecular formula is C11H13N3O, belongs to pyrazoles-derivatives compound. In a document, author is Karrouchi, Khalid.

Synthesis, X-ray, spectroscopy, molecular docking and DFT calculations of (E)-N ‘-(2,4-dichlorobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide

(E)-N’-(2,4-dichlorobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide (E-DPPC) has been synthesized and characterized by FT-IR, H-1-NMR, ESI-MS, and single-crystal X-ray diffraction. The structures and properties of this new pyrazole-3-carbohydrazide derivative were studied in gas phase and aqueous solution by using Functional hybrid B3LYP/6-311++G** calculations in gas phase and in aqueous solution to study. Two stable structures (C1 and C2) with similar energies were found in the PES. C2 evidence a higher dipole moment and a volume contraction in solution attributed to the presence of donors and acceptors H bonds. Besides, the changes in orientation and direction of dipole moment vector in solution are attributed to the hydration of E-DPPC with water molecules. The repulsion existent between the negative MK, Mulliken and NPA charges on the N12 and 015 atoms explain the diminishing of N12-C14-015 angle from 123.77 degrees in gas phase to 123.03 degrees in solution. Nucleophilic sites are visibly observed on the acceptor H bonds groups (N10, 015 and N22 atoms) while on the N18-H21, N12-H13, C11-H23, C2-H3, C17-H20 bonds characteristics electrophilic sites were found, being the N18-H21 bond the most labile donor of H bond with the lowest MEP and bond order values. NBO calculations suggest that C2 is clearly most stable in solution than in gas phase. AIM studies show that C2 is stable in both media due to new H bonds formed. Harmonic force fields in both media were calculated together with the scaled force constants while the 102 vibration normal modes expected for C2 were completely assigned. The comparisons of experimental NMR and UV-visible spectra with the corresponding predicted evidence reasonable correlations. Docking results also displayed that E-DPPC possessed good binding profile against receptor molecule and interacted with core residues of target protein. (C) 2020 Elsevier B.V. All rights reserved.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 83-07-8, in my other articles. Application In Synthesis of 4-Aminoantipyrine.

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

Application of 83-07-8, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 83-07-8, Name is 4-Aminoantipyrine, SMILES is O=C1N(C2=CC=CC=C2)N(C)C(C)=C1N, belongs to pyrazoles-derivatives compound. In a article, author is Fu Xiaopan, introduce new discover of the category.

Fully Substituted Pyrazoles Assisted Palladium-Catalyzed Late-Stage Arylation of C(sp(2))-H Bond

A successful protocol has been developed for palladium-catalyzed late-stage arylation of fully substituted pyrazoles. Through screening of optimazation of reaction parameters, the most efficient reaction conditions for mono-ortho-position arylation were obtained. This reaction features a broad substrate scope, good functional group tolerance as well as good to excellent yield. Moreover, the intermolecular competition experiments and gram scale reaction were also performed. The kinetic isotopic effect (KIE) result reveled C-H bond cleavage was involved in the rate-limiting step and a plausible mechanism was proposed based on the dual-core dimeric palladacycle.

Application of 83-07-8, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 83-07-8.

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

Electric Literature of 330792-70-6, Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. The appropriate choice of redox mediator can avoid electrode passivation and overpotential. 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, SMILES is N#CC1=C(N)NN=C1C2=CC=C(OC3=CC=CC=C3)C=C2, belongs to pyrazoles-derivatives compound. In a article, author is Zhu Yue, introduce new discover of the category.

Synthesis and Biological Activities of Novel Pyrazole Oxime Derivatives Containing Benzotriazolyl Moiety

In search of new N-heterocyclic compounds possessing good biological activities, 17 novel pyrazole oxime derivatives were designed and synthesized by introducing benzotriazole moiety into pyrazole oxime skeleton based on fenpyroximate. Their structures were tested by H-1 NMR, C-13 NMR and elemental analysis. Preliminary bioassay data displayed that 3 compounds showed 70%similar to 100% insecticidal activities towards Tetranychus cinnabarinus at 20 mu g/mL. 6 compounds possessed 90%similar to 100% mortality rates towards Aphis medicaginis at 20 mu g/mL. Moreover, 16 compounds displayed more than 80% insecticidal activities against Mythimna separata (Walker) at 500 mu g/mL.

Electric Literature of 330792-70-6, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 330792-70-6 is helpful to your research.

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

Chemistry can be defined as the study of matter and the changes it undergoes. You¡¯ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is , belongs to pyrazoles-derivatives compound. In a document, author is Outahar, Fatima, SDS of cas: 330792-70-6.

Synthesis of novel spiro-pyrazole and spiro-isoxazoline derivatives of 9 alpha- and 9 beta-hydroxyparthenolide

A series of novel spiropyrazoles and spiroisoxazolines was efficiently synthesized. Structural modifications were performed at the C-9 and C-13 positions of 9 alpha- and 9 beta-hydroxyparthenolide, which were isolated from the aerial parts of Anvillea radiata. The structures and stereochemistry of the cycloadducts were fully established by spectroscopic methods including X-ray diffraction data. (C) 2020 Elsevier Ltd. All rights reserved.

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

Chemistry, like all the natural sciences, begins with the direct observation of nature¡ª in this case, of matter.330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, SMILES is N#CC1=C(N)NN=C1C2=CC=C(OC3=CC=CC=C3)C=C2, belongs to pyrazoles-derivatives compound. In a document, author is Goodwin, Jack W., introduce the new discover, Computed Properties of C16H12N4O.

Structural and spectroscopic insights on the coordination chemistry of the rigid heterotopic chelating ligand 1H-pyrazolo[4,3-h]quinoline

In this work, we report the coordination chemistry of a rigid heterotopic ligand 1H-pyrazolo[4,3-h]quinoline HL1 in copper(II) and zinc(II) complexes and examine both the structural properties and solution-phase behavior of these species. On reaction with zinc(II) nitrate in acetonitrile, a mononuclear complex [Zn(HL1)(2)(OH2)(2)](NO3)(2) 1 is generated, where a size mismatch between the metal ion and the binding pocket leads to an anomalously long Zn-N bond to the pyrazole nitrogen. This is consistent with solution-state absorption and fluorescence measurements which indicate a relatively low stability constant log beta of 9.1(3) in acetonitrile. The reaction of HL1 with copper(II) nitrate in methanol gave four new crystalline phases, the major forms of which are two polymorphs of [Cu-2(mu(2)-L1)(2)(NO3)(2)(MeOH)(2)] 2 alpha and 2 beta which also constitutes the dominant solution-phase behavior of this mixture. Additionally, trace amounts of the nitric acid salt of HL1 were crystallized along with the slow formation of a tetranuclear species [Cu-4(mu(2)-L1)(6)(OH2)(2)](NO3)(2) center dot 2MeOH3 which also features anomalously long bridging distances from L1 as a result of its backbone rigidity. [GRAPHICS]

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 330792-70-6 is helpful to your research. Computed Properties of C16H12N4O.

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

Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is C16H12N4O, belongs to pyrazoles-derivatives compound, is a common compound. In a patnet, author is Bansal, K. K., once mentioned the new application about 330792-70-6, Formula: C16H12N4O.

Synthesis of thiazole clubbed pyrazole derivatives as apoptosis inducers and anti-infective agents

Fourteen N-[{(substituted-phenylthiazol-2-yl)-3-aryl-1H-pyrazol-4-yl}methylene]-5-substituted-thiazol-2-amine (5a-n) analogs were synthesized by the reaction of 3-aryl-1-(thiazol-2-yl)-1H-pyrazole-4-carbaldehyde and substituted thiazole amines. The structures of prepared compounds were delineated by elemental analysis, FT-IR and H-1 NMR spectra. These analogs were scrutinized for in vitro antiinfective and cytotoxic activities. Some thaizole clubbed pyrazole derivatives were assessed for their cytological changes in germ cells of Capra hircus by using histomorphological analysis, fluorescence assay and apoptosis quantification. Compound 51 having 4-NO2 substituent induced the significant apoptosis in tested cells of Capra hircus. The results revealed that compounds 5c, 5e, 5k, and 51 have commendable antibacterial activity within MIC range of 62.5-250 mu g/ml. Compound 5c emerged as a potent antimalarial compound by exhibiting IC50 value of 0.23 mu g/ml and compound 5j induced paralysis of Pherentima posthuma at 8.6 +/- 1.94 min and death at 20 +/- 5.04 min, respectively. Compound 5j revealed an excellent cytotoxicity at IC50 value of 30.7 and < 10 mu g/ml against MCF-7 and HeLa cells, respectively. Individually, compounds 5c, 5j and 51 could be considered as promising anti-infective and cytotoxic compounds. (C) 2020 Elsevier Ltd. All rights reserved. We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 330792-70-6. The above is the message from the blog manager. Formula: C16H12N4O.

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

Synthetic Route of 645-05-6, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 645-05-6, Name is Altretamine, SMILES is CN(C)C1=NC(N(C)C)=NC(N(C)C)=N1, belongs to pyrazoles-derivatives compound. In a article, author is Jiao, Jian, introduce new discover of the category.

Synthesis, Bioactivity Evaluation, 3D-QSAR, and Molecular Docking of Novel Pyrazole-4-carbohydrazides as Potential Fungicides Targeting Succinate Dehydrogenase

Main observation and conclusion To screen novel antifungal agents targeting the succinate dehydrogenase (SDH), a series of pyrazole-4-carbohydrazides were rationally designed, synthesized, and characterized under the guidance of the structures of succinate dehydrogenase inhibitors (SDHIs). Bioassay results in vitro indicated that most of the target compounds exhibited excellent activity against Rhizoctonia solani (R. solani), Fusarium graminearum (F. graminearum), Botrytis cinerea (B. cinerea) and Colletotrichum capsica (C. cinerea). Compounds 7d, 7l, 7t and 7x were identified as the most promoting candidates, and their anti-F. graminearum EC50 values were as low as 0.56, 0.47, 0.46 and 0.49 mu g/mL, respectively, presenting the similar antifungal activity as that of the commonly used fungicide carbendazim (0.43 mu g/mL). The 3D-QSAR models were built for a systematic structure-activity relationship profile to explore more potent pyrazole-4-carbohydrazides as novel fungicides. Molecular docking of 7d, 7l and 7r with SDH was performed to reveal the binding modes in active pocket and analyze the interactions between the molecules and the SDH protein. [GRAPHICS] .

Synthetic Route of 645-05-6, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. I hope my blog about 645-05-6 is helpful to your research.

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