Cas no 878204-62-7 (1-methyl-4-(trifluoromethyl)-1H-Pyrazole-3-methanol)
878204-62-7 structure
Product Name:1-methyl-4-(trifluoromethyl)-1H-Pyrazole-3-methanol
CAS No:878204-62-7
MF:C6H7F3N2O
MW:180.127791643143
CID:1120279
PubChem ID:57574542
Update Time:2025-04-20
1-methyl-4-(trifluoromethyl)-1H-Pyrazole-3-methanol Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-4-(trifluoromethyl)-1H-Pyrazole-3-methanol
- FT-0761473
- (1-Methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl)methanol
- DTXSID201222780
- 3-hydroxymethyl-1-methyl-4-trifluoromethyl-1H-pyrazole
- 878204-62-7
- SCHEMBL3155407
- DB-077114
-
- Inchi： 1S/C6H7F3N2O/c1-11-2-4(6(7,8)9)5(3-12)10-11/h2,12H,3H2,1H3
- InChI Key： YOOQCLLGWKFPOU-UHFFFAOYSA-N
- SMILES： FC(C1=CN(C)N=C1CO)(F)F
Computed Properties
- Exact Mass: 180.05104734g/mol
- Monoisotopic Mass: 180.05104734g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 161
- 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: 0.3
- Topological Polar Surface Area: 38?2
1-methyl-4-(trifluoromethyl)-1H-Pyrazole-3-methanol Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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