Cas no 646455-60-9 (4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole)
646455-60-9 structure
Product Name:4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CAS No:646455-60-9
MF:C8H11F3N2
MW:192.181552171707
CID:1680455
PubChem ID:2779429
Update Time:2025-04-21
4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
- 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole
- ZINC00152403
- AC1MCVIX
- CTK6C3413
- SBB091408
- AG-A-20295
- AW00721
- KB-159939
- 1-isopropyl-4-methyl-3-(trifluoromethyl)pyrazole
- 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole; ZINC00152403; AC1MCVIX; CTK6C3413; SBB091408; AG-A-20295; AW00721; KB-159939; 1-isopropyl-4-methyl-3-(trifluoromethyl)pyrazole;
- 646455-60-9
- OXTAAXVCDQASCZ-UHFFFAOYSA-N
- DTXSID10381438
- SCHEMBL17454480
-
- Inchi： 1S/C8H11F3N2/c1-5(2)13-4-6(3)7(12-13)8(9,10)11/h4-5H,1-3H3
- InChI Key： OXTAAXVCDQASCZ-UHFFFAOYSA-N
- SMILES： FC(C1C(C)=CN(C(C)C)N=1)(F)F
Computed Properties
- Exact Mass: 192.08743285g/mol
- Monoisotopic Mass: 192.08743285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 17.8?2
4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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