Cas no 98534-32-8 (1H-Pyrazole-4-carboxamide,N-cyclopropyl-1-phenyl-5-(trifluoromethyl)-)
98534-32-8 structure
Product Name:1H-Pyrazole-4-carboxamide,N-cyclopropyl-1-phenyl-5-(trifluoromethyl)-
CAS No:98534-32-8
MF:C14H12F3N3O
MW:295.259793281555
CID:816756
PubChem ID:176745
Update Time:2025-04-19
1H-Pyrazole-4-carboxamide,N-cyclopropyl-1-phenyl-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxamide,N-cyclopropyl-1-phenyl-5-(trifluoromethyl)-
- N-cyclopropyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
- DATZGCZVYPWSHK-UHFFFAOYSA-N
- 98534-32-8
- SCHEMBL10365365
- DTXSID30243680
- 1H-Pyrazole-4-carboxamide, N-cyclopropyl-1-phenyl-5-(trifluoromethyl)-
-
- Inchi： 1S/C14H12F3N3O/c15-14(16,17)12-11(13(21)19-9-6-7-9)8-18-20(12)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,21)
- InChI Key： DATZGCZVYPWSHK-UHFFFAOYSA-N
- SMILES： FC(C1=C(C=NN1C1C=CC=CC=1)C(NC1CC1)=O)(F)F
Computed Properties
- Exact Mass: 295.093
- Monoisotopic Mass: 295.093
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 391
- 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: 2.6
- Topological Polar Surface Area: 46.9?2
Experimental Properties
- Density: 1.44
- Boiling Point: 428.9°Cat760mmHg
- Flash Point: 213.2°C
- Refractive Index: 1.607
1H-Pyrazole-4-carboxamide,N-cyclopropyl-1-phenyl-5-(trifluoromethyl)- Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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