Cas no 129585-50-8 (1H-Pyrazole, 3-methyl-1-phenyl-5-(trifluoromethyl)-)
129585-50-8 structure
Product Name:1H-Pyrazole, 3-methyl-1-phenyl-5-(trifluoromethyl)-
CAS No:129585-50-8
MF:C11H9F3N2
MW:226.197772741318
CID:1224082
PubChem ID:14668995
Update Time:2025-04-20
1H-Pyrazole, 3-methyl-1-phenyl-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 3-methyl-1-phenyl-5-(trifluoromethyl)-
- 3-methyl-1-phenyl-5-(trifluoromethyl)pyrazole
- SCHEMBL3281219
- AKOS024263850
- TXGNHJSAPGTYFL-UHFFFAOYSA-N
- 3-methyl-1-phenyl-5-(trifluoromethyl)-1H-pyrazole
- 129585-50-8
- 3-Methyl-1-phenyl-5-trifluoromethyl-1H-pyrazole
- DTXSID10562821
- DB-152028
-
- Inchi： 1S/C11H9F3N2/c1-8-7-10(11(12,13)14)16(15-8)9-5-3-2-4-6-9/h2-7H,1H3
- InChI Key： PFGFMKWTUOABSR-UHFFFAOYSA-N
- SMILES： FC(C1=CC(C)=NN1C1C=CC=CC=1)(F)F
Computed Properties
- Exact Mass: 226.07187
- Monoisotopic Mass: 226.07178278g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 236
- 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: 3.2
- Topological Polar Surface Area: 17.8?2
Experimental Properties
- PSA: 17.82
1H-Pyrazole, 3-methyl-1-phenyl-5-(trifluoromethyl)- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
129585-50-8 (1H-Pyrazole, 3-methyl-1-phenyl-5-(trifluoromethyl)-) Related Products
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