Cas no 586333-28-0 (1H-Pyrazole, 5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-)
586333-28-0 structure
Product Name:1H-Pyrazole, 5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-
CAS No:586333-28-0
MF:C16H10ClF3N2
MW:322.712213039398
CID:341414
PubChem ID:10426309
Update Time:2025-04-19
1H-Pyrazole, 5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole, 5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-
- 5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
- 5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole
- VSJKSKOCYFMVKZ-UHFFFAOYSA-N
- DTXSID90439769
- 586333-28-0
-
- Inchi： 1S/C16H10ClF3N2/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)20)21-22(14)13-4-2-1-3-5-13/h1-10H
- InChI Key： VSJKSKOCYFMVKZ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1=CC(C(F)(F)F)=NN1C1C=CC=CC=1
Computed Properties
- Exact Mass: 322.0486
- Monoisotopic Mass: 322.0484605g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 363
- 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: 5.1
- Topological Polar Surface Area: 17.8?2
Experimental Properties
- PSA: 17.82
1H-Pyrazole, 5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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