Cas no 586333-33-7 (1H-Pyrazole, 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-)
586333-33-7 structure
Product Name:1H-Pyrazole, 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-
CAS No:586333-33-7
MF:C16H10BrF3N2
MW:367.163213253021
CID:341413
PubChem ID:10067509
Update Time:2025-04-19
1H-Pyrazole, 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-
- 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
- NWYHRYOPEBHPIG-UHFFFAOYSA-N
- 5-(4-Bromophenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole
- 586333-33-7
- DTXSID60435132
-
- Inchi： 1S/C16H10BrF3N2/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： NWYHRYOPEBHPIG-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1=CC(C(F)(F)F)=NN1C1C=CC=CC=1
Computed Properties
- Exact Mass: 365.998
- Monoisotopic Mass: 365.99795g/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: 5.2
- Topological Polar Surface Area: 17.8?2
Experimental Properties
- PSA: 17.82
1H-Pyrazole, 5-(4-bromophenyl)-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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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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