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Recently I am researching about SIGMA-COMPLEX FORMATION; MEISENHEIMER COMPLEXES; HETEROAROMATIC SUBSTITUTIONS; 3+2 CYCLOADDITION; 4,6-DINITROBENZOFUROXAN; REACTIVITY; NUCLEOPHILES; 4-AZA-6-NITROBENZOFUROXAN; 4,6-DINITRO-BENZOFUROXAN; HETEROCYCLES, Saw an article supported by the Russian Science FoundationRussian Science Foundation (RSF) [19-73-20259]. Category: pyrazoles-derivatives. Published in MDPI in BASEL ,Authors: Bastrakov, MA; Fedorenko, AK; Starosotnikov, AM; Fedyanin, IV; Kokorekin, VA. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole

A number of novel 6-R-isoxazolo[4,3-b]pyridines were synthesized and their reactions with neutral C-nucleophiles (1,3-dicarbonyl compounds, pi-excessive (het)arenes, dienes) were studied. The reaction rate was found to be dependent on the nature of the substituent 6-R. The most reactive 6-nitroisoxazolo[4,3-b]pyridines are able to add C-nucleophiles in the absence of a base under mild conditions. In addition, these compounds readily undergo [4+2]-cycloaddition reactions on aromatic bonds C=C(NO2) of the pyridine ring, thus indicating the superelectrophilic nature of 6-NO2-isoxazolo[4,3-b]pyridines.

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Reference:
Pyrazole – Wikipedia,
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HPLC of Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Paudel, J; Pokhrel, A; Kirk, ML; Li, FF or concate me.

An article Remote Charge Effects on the Oxygen-Atom-Transfer Reactivity and Their Relationship to Molybdenum Enzymes WOS:000458085900039 published article about ELECTRONIC-STRUCTURE CONTRIBUTIONS; SULFITE OXIDASE; ACTIVE-SITE; DIOXOMOLYBDENUM(VI) COMPLEXES; DIOXO-MO(VI) COMPLEX; DIOXYGEN ACTIVATION; CRYSTAL-STRUCTURE; CIS-DIOXO; LIGANDS; MODEL in [Paudel, Jaya; Li, Feifei] New Mexico State Univ, Dept Chem & Biochem, Las Cruces, NM 88003 USA; [Pokhrel, Amrit; Kirk, Martin L.] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA in 2019.0, Cited 89.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. HPLC of Formula: C5H8N2

We report the syntheses, crystal structures, and characterization of the novel cis-dioxomolybdenum(VI) complexes [Tpm*(MoO2Cl)-O-VI](MoO2Cl3) (1) and [Tpm*(MoO2Cl)-O-VI](ClO4) (2), which are supported by the charge-neutral tris(3,5-dimethyl-1-pyrazolyl)methane (Tpm*) ligand. A comparison between isostructural [Tpm*(MoO2Cl)-O-VI](+) and Tp*(MoO2Cl)-O-VI [Tp* = hydrotris(3,5-dimethyl-1-pyrazolyl)borate] reveals the effects of one unit of overall charge difference on their spectroscopic and electrochemical properties, geometric and electronic structures, and O-atom-transfer (OAT) reactivities, providing new insight into pyranopterin molybdoenzyme OAT reactivity. Computational studies of these molecules indicate that the delocalized positive charge lowers the lowest unoccupied molecular orbital (LUMO) energy of cationic [Tpm*MoO2Cl](+) relative to Tp*MoO2Cl. Despite their virtually identical geometric structures revealed by crystal structures, the Mo-VI/Mo-V redox potential of 2 is increased by 350 mV relative to that of Tp*(MoO2Cl)-O-VI. This LUMO stabilization also contributes to an increased effective electrophilicity of [Tp*MoO2Cl](+) relative to that of Tp*MoO2Cl, resulting in a more favorable resonant interaction between the molydenum complex LUMO and the highest occupied molecular orbital (HOMO) of the PPh3 substrate. This leads to a greater thermodynamic driving force, an earlier transition state, and a lowered activation barrier for the orbitally controlled first step of the OAT reaction in the Tpm* system relative to the Tp* system. An Eyring plot analysis shows that this initial step yields an O Mo-IV-OPPh3 intermediate via an associative transition state, and the reaction is similar to 500-fold faster for 2 than for Tp*MoO2Cl. The second step of the OAT reaction entails solvolysis of the O Mo-IV-OPPh3 intermediate to afford the solvent-substituted Mo-IV product and is 750-fold faster for the Tpm* system at -15 degrees C compared to the Tp* system. The observed rate enhancement for the second step is ascribed to a switch of the reaction mechanism from a dissociative pathway for the Tp* system to an alternative associative pathway for the Tpm* system. This is due to a more Lewis acidic Mo-IV center in the Tpm* system.

HPLC of Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Paudel, J; Pokhrel, A; Kirk, ML; Li, FF or concate me.

Reference:
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Safety of 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Tuskaev, VA; Zubkevich, SV; Saracheno, D; Gagieva, SC; Dorovatovskii, PV; Kononova, EG; Khrustalev, VN; Zarubin, DN; Bulychev, BM; Kissin, YV or concate me.

Tuskaev, VA; Zubkevich, SV; Saracheno, D; Gagieva, SC; Dorovatovskii, PV; Kononova, EG; Khrustalev, VN; Zarubin, DN; Bulychev, BM; Kissin, YV in [Tuskaev, Vladislav A.; Zubkevich, Sergei V.; Gagieva, Svetlana Ch.; Bulychev, Boris M.] Moscow MV Lomonosov State Univ, Chem Dept, Leninskie Gory 11, Moscow 119991, Russia; [Tuskaev, Vladislav A.; Kononova, Elena G.; Khrustalev, Victor N.; Zarubin, Dmitry N.] Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Vavilov Str 28, Moscow 119991, Russia; [Saracheno, Daniele] Dimitri Mendeleev Univ Chem Technol Russia, Higher Coll Chem Russia, Miusskaya Sq 9, Moscow 125047, Russia; [Dorovatovskii, Pavel V.; Khrustalev, Victor N.] Natl Res Ctr, Kurchatov Inst, Moscow, Russia; [Khrustalev, Victor N.] Peoples Friendship Univ Russia RUDN, Moscow, Russia; [Kissin, Yury V.] Rutgers State Univ, Dept Chem & Chem Biol, 123 Bevier Rd, Piscataway, NJ 08854 USA published Nickel(II) complexes with tripodal NNN ligands as homogenous and supported catalysts for ethylene oligomerization in 2019.0, Cited 73.0. Safety of 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Four new coordination compounds of nickel (II) with derivatives of N,N-bis(pyrazol-1-ylmethyl)propylamine were synthesized; their composition and structure were confirmed with IR-spectroscopy and elemental analysis. The structures of products 13 and 15 were unambiguously established in an X-ray diffraction study. Compounds 13 and 15 crystallize in the orthorhombic space groups Pna2(1) and P2(1)2(1)2(1) correspondingly and represent a monomeric octahedral nickel complexes, that are typical for tridentate scorpion-type ligands. New method for immobilization of nickel complexes with derivatives of N,N-bis(pyrazol-1-ylmethyl)propylamine on silica gel modified with aminopropyl groups was proposed. The EXAFS/XANES analysis indicated that Ni atom in the supported complexes adopt almost octahedral geometry, being partly surrounded by nitrogen atoms from organic ligand and partly grafted to silica surface through silanol groups, with Br- in outer coordination sphere. Both the original and the supported complexes, when activated with Et2AlCl or Et3Al2Cl3, catalyze ethylene oligomerization with the predominant formation of butene isomers. Generally, the immobilized complexes show higher activity and better selectivity towards 1-butene formation.

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Pyrazole – Wikipedia,
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About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Tuskaev, VA; Zubkevich, SV; Saracheno, D; Gagieva, SC; Dorovatovskii, PV; Kononova, EG; Khrustalev, VN; Zarubin, DN; Bulychev, BM; Kissin, YV or concate me.. Product Details of 67-51-6

Product Details of 67-51-6. In 2019.0 MOL CATAL published article about BRANCHED POLYETHYLENE; FUNCTIONALIZED POLYOLEFINS; ALKYLALUMINUM COCATALYST; METAL-COMPLEXES; NITROGEN DONOR; AMINE LIGANDS; POLYMERIZATION; ALUMINUM; NMR; TEMPERATURE in [Tuskaev, Vladislav A.; Zubkevich, Sergei V.; Gagieva, Svetlana Ch.; Bulychev, Boris M.] Moscow MV Lomonosov State Univ, Chem Dept, Leninskie Gory 11, Moscow 119991, Russia; [Tuskaev, Vladislav A.; Kononova, Elena G.; Khrustalev, Victor N.; Zarubin, Dmitry N.] Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Vavilov Str 28, Moscow 119991, Russia; [Saracheno, Daniele] Dimitri Mendeleev Univ Chem Technol Russia, Higher Coll Chem Russia, Miusskaya Sq 9, Moscow 125047, Russia; [Dorovatovskii, Pavel V.; Khrustalev, Victor N.] Natl Res Ctr, Kurchatov Inst, Moscow, Russia; [Khrustalev, Victor N.] Peoples Friendship Univ Russia RUDN, Moscow, Russia; [Kissin, Yury V.] Rutgers State Univ, Dept Chem & Chem Biol, 123 Bevier Rd, Piscataway, NJ 08854 USA in 2019.0, Cited 73.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Four new coordination compounds of nickel (II) with derivatives of N,N-bis(pyrazol-1-ylmethyl)propylamine were synthesized; their composition and structure were confirmed with IR-spectroscopy and elemental analysis. The structures of products 13 and 15 were unambiguously established in an X-ray diffraction study. Compounds 13 and 15 crystallize in the orthorhombic space groups Pna2(1) and P2(1)2(1)2(1) correspondingly and represent a monomeric octahedral nickel complexes, that are typical for tridentate scorpion-type ligands. New method for immobilization of nickel complexes with derivatives of N,N-bis(pyrazol-1-ylmethyl)propylamine on silica gel modified with aminopropyl groups was proposed. The EXAFS/XANES analysis indicated that Ni atom in the supported complexes adopt almost octahedral geometry, being partly surrounded by nitrogen atoms from organic ligand and partly grafted to silica surface through silanol groups, with Br- in outer coordination sphere. Both the original and the supported complexes, when activated with Et2AlCl or Et3Al2Cl3, catalyze ethylene oligomerization with the predominant formation of butene isomers. Generally, the immobilized complexes show higher activity and better selectivity towards 1-butene formation.

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Reference:
Pyrazole – Wikipedia,
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Vynohradov, OS; Pavlenko, VA; Naumova, DD; Partsevska, SV; Shova, S; Safarmamadov, SM in [Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Naumova, Dina D.; Partsevska, Sofiia, V] Taras Shevchenko Natl Univ Kyiv, Dept Chem, Volodymyrska Str 64-13, UA-01601 Kiev, Ukraine; [Shova, Sergiu] Poni Petru Inst Macromol Chem, Voda 41A, Iasi 700487, Romania; [Safarmamadov, Safarmamad M.] Tajik Natl Univ, Dept Chem, 17 Rudaki Ave, Dushanbe 734025, Tajikistan published Crystal structure of bis{mu-2-[bis(2-hydroxyethyl)-amino]ethanolato]bis(mu-3,5-aimethyipyrazolato)-tricopper(II) dibromide sesquihyarate in 2020.0, Cited 22.0. Safety of 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

In the title bicyclic trinuclear pyrazolate aminoalcohol complex, [Cu-3(C5H7N2)(2)-(C6H14NO3)(2)]Br-2 center dot 1.5H(2)O, the central Cu atom lies on a center of symmetry and is involved in the formation of two five-membered rings. It has a coordination number of 4, is in a distorted tetrahedral environment and is connected by the bridging oxygen atoms of the deprotonated OH groups of different aminoalcohol groups, and by the N atoms of deprotonated dimethylpyrazole ligands. The peripheral Cu atom is in a trigonal-bipyramidal coordination environment formed by the nitrogen atom of the deprotonated bridging dimethylpyrazole unit, the bridging oxygen atom of the deprotonated OH group, two oxygen atoms of the protonated hydroxy groups and the nitrogen atom of triethanolamine. One of the C atoms and the Br- anion were found to be disordered over two positions with occupancy factors of 0.808 (9):0.192 (9) and 0.922 (3):0.078 (3), respectively.

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Reference:
Pyrazole – Wikipedia,
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About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Das, S; Subramaniyan, V; Mani, G or concate me.. Category: pyrazoles-derivatives

Category: pyrazoles-derivatives. In 2019.0 INORG CHEM published article about VINYL POLYMERIZATION; CATALYTIC-ACTIVITY; ETHYLENE POLYMERIZATION; ADDITION POLYMERIZATION; NI COMPLEXES; LIGAND; PHOSPHINE; IRON; COORDINATION; PCN in [Das, Sanghamitra; Subramaniyan, Vasudevan; Mani, Ganesan] Indian Inst Technol Kharagpur, Dept Chem, Kharagpur 721302, W Bengal, India in 2019.0, Cited 104.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Unsymmetrical pincers have been shown to be better than the corresponding symmetrical pincers in several catalysis reactions. A new unsymmetrical PNN propincer, 2-(3,5-dimethylpyrazolylmethyl)-5-(diphenylphosphinomethyl)-pyrrole (1), was synthesized from pyrrole through Mannich bases in a good yield. In addition, the new byproduct 2-(3,5-dimethylpyrazolylmethyl)-5-(dimethylaminomethyl)-N-(hydroxymethyl)pyrrole was also isolated. The reaction of 1 with [PdCl2(PhCN)(2)] and Et3N in toluene yielded [PdCl-{C4H2N-2-(CH(2)Me(2)pz)-5-(CH2PPh2)-kappa P-3,N,N}] (2). The analogous reaction between 1 and [NiCl2(DME)] or NiX2 (X = Br, I) in the presence of NEt3 in acetonitrile afforded [NiX{C4H2N-2-(CH(2)Me(2)pz)-5-(CH2PPh2)-kappa P-3,N,N}] (3; X = Cl, Br, I). All complexes were structurally characterized. The norbornene polymerization behaviors of the unsymmetrical pincer complexes 2 and 3 in the presence of MMAO or EtAlCl2 were compared with those of the symmetrical pincer complexes chloro[2,5-bis(3,5-dimethylpyrazolylmethyl)pyrrolido]-palladium(II) (NNN), chloro[2,5-bis(diphenylphosphinomethyl)pyrrolido]palladium(II), and chloro[2,5-bis(diphenylphosphinomethyl)pyrrolido]nickel(II) (PNP) at different temperatures. The PNN and NNN complexes exhibited far greater activity on the order of 10(7) g of PNB/mol/h, with quantitative yields in some cases, in comparison to the PNP pincer palladium and nickel complexes. This trend was also supported by the Pr-i group substituted PNP nickel and palladium pincer complexes. These polymerization behaviors are explained using steric crowding around the metal atom with the support of NMR studies and suggested that the activity increases as the N-pyrazole donor increases. Polymers were characterized by H-1 NMR, IR, TGA, and powder XRD methods.

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Reference:
Pyrazole – Wikipedia,
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An article Triazole based azo molecules as potential antibacterial agents: Synthesis, characterization, DFT, ADME and molecular docking studies WOS:000529345400014 published article about DISAZO DYES; SPECTROSCOPIC PROPERTIES; ABSORPTION; DESIGN; DRUG; 1,2,3-TRIAZOLE; APPROXIMATION; ANTIFUNGAL; MOIETIES; PYRAZOLE in [Gokalp, Merve; Dede, Bulent; Tilki, Tahir] Suleyman Demirel Univ, Fac Sci & Arts, Dept Chem, TR-32260 Isparta, Turkey; [Atay, Cigdem Karabacak] Mehmet Akif Ersoy Univ, Fac Educ, Dept Basic Educ, TR-15030 Burdur, Turkey in 2020.0, Cited 40.0. Application In Synthesis of 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

In this study, three triazole based azo molecules [3-amino-4-[1H-1,2,4-triazole-3-yldiazenyl]-1H-pyrazole-5-ol (1), 3-[(3,5-dimethyl-1H-pyrazole-4-yl)diazenyl]-1H-1,2,4-triazole (2) and 4-[1H-1,2,4triazole-3yldiazenyl]benzene-1,3-diol (3)] were, synthesized and characterized by using 1H NMR, FTIR, UV-vis and mass spectra. The molecular structure, vibrational spectroscopic data, electronic transition absorption wavelengths, HOMOs and LUMOs analyses, molecular electrostatic potential (MEP) and potential energy surface (PES) diagrams were calculated by using DFT/B3LYP method with 6-311G(d,p) basis set. NMR chemical shift calculations were performed by using the gauge-invariant atomic orbital (GIAO) method. The spectroscopic results obtained from quantum chemical calculations of the 1, 2 and 3 molecules were in good agreement with the experimental data. Antibacterial activities of the 1, 2 and 3 were investigated against four different bacterial cultures. Although 1 molecule did not show very good antibacterial activity, 2 and 3 showed good activity against Staphylococcus aureus at a MIC of 250 and 62.5 mg/mL, respectively. Druglikeness and some of the pharmacokinetic properties of the 1, 2 and 3 were also examined. In addition, molecular docking studies were performed to investigate the antibacterial properties of synthesized compounds by in silico method. For this purpose, beta-ketoacyl-acyl carrier protein (ACP) synthase III (KAS III) and lipoteichoic acid synthase (LtaS) inhibitory properties of 1, 2 and 3 molecules were investigated. Although all of the synthesized compounds showed antibacterial properties according to the results of the molecular docking studies, the best results were obtained by the compound 3 which interacts with both KAS III and LtaS with binding energy of -7.17 and -7.53 kcal/mol, respectively. (C) 2020 Elsevier B.V. All rights reserved.

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The direct selanylation of a diverse array of (hetero)arenes, including imidazo[2, 1-b]thiazole, imidazo [1, 2-a]pyridine, 1H-indole, 1H-pyrazole, isoxazole and naphthalen-2-ol is presented. The reactions are mediated by Selectfluor, as a stable, easy to handle and commercially available oxidant. The methodology features simple, mild and safe reaction conditions to produce non-symmetrical diorganyl selenides in moderate to excellent yields. The reactions were conducted at room temperature in air using NaHCO3 in acetonitrile. (C) 2020 Elsevier Ltd. All rights reserved.

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In 2019.0 MENDELEEV COMMUN published article about CU(I) COMPLEXES; PHOTOPHYSICAL PROPERTIES; CRYSTAL; DESIGN in [Titov, Aleksei A.; Filippov, Oleg A.; Smol’yakov, Alexander F.; Shubina, Elena S.] Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Moscow 119991, Russia; [Smol’yakov, Alexander F.] RUDN Univ, Peoples Friendship Univ Russia, Moscow 117198, Russia; [Smol’yakov, Alexander F.] GV Plekhanov Russian Univ Econ, Moscow 117997, Russia; [Averin, Alexey A.] Russian Acad Sci, AN Frumkin Inst Phys Chem & Electrochem, Moscow 199071, Russia in 2019.0, Cited 20.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. COA of Formula: C5H8N2

A reaction of [Cu(MeCN)(4)]BF4 with PzH (3,5-dimethyl-pyrazole) and BINAP [2,20-bis(diphenylphosphino)-1,10-bi-naphthyl] leads to the formation of mononuclear Cu-I complex [Cu(PzH)(BINAP)]BF4 containing the molecule of non-deprotonated pyrazole and one BINAP ligand with two phosphorus atoms chelating the metal. This complex exhibits a bright phosphorescence originating from the (3)(M+L)LCT state at room temperature. At 77 K, the emission is splitted into two components: (3)(M+L)LCT and (LC)-L-3 transitions.

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Application In Synthesis of 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Bondarenko, OB; Karetnikov, GL; Komarov, AI; Pavlov, AI; Nikolaeva, SN or concate me.

An article R(4)NHal/NOHSO4: A Usable System for Halogenation of Isoxazoles, Pyrazoles, and Beyond WOS:000606840200025 published article about REGIOSELECTIVE IODINATION; NITROSYLSULFURIC ACID; AROMATIC-COMPOUNDS; EFFICIENT METHOD; NITROGEN-OXIDE; C-13 NMR; MILD; CONVENIENT; BROMINATION; 3,5-DIARYLISOXAZOLES in [Bondarenko, Oksana B.; Karetnikov, Georgy L.; Komarov, Arseniy, I; Pavlov, Aleksandr, I; Nikolaeva, Svetlana N.] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119991, Russia in 2021.0, Cited 58.0. Application In Synthesis of 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

A new convenient and versatile halogenating system (R(4)NHal/NOHSO4), giving straightforward and general access to halogenated 3,5-diaryl- and alkylarylisoxazoles, pyrazoles and electron-rich benzenes from the corresponding scaffolds, is suggested. The method provides excellent regioselectivity, scalability to the gram scale, and a broad scope for both aromatics and halogens. A three-step, one-pot reaction protocol was developed, and a series of 3,5-diaryl-4-haloisoxazoles has been efficiently synthesized from 1,2-diarylcyclopropanes under suggested nitrosating-halogenating conditions.

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