Cas no 98534-36-2 (1H-Pyrazole-4-carboxamide,N-ethyl-1-phenyl-5-(trifluoromethyl)-)
98534-36-2 structure
Product Name:1H-Pyrazole-4-carboxamide,N-ethyl-1-phenyl-5-(trifluoromethyl)-
CAS No:98534-36-2
MF:C13H12F3N3O
MW:283.249093055725
CID:812615
PubChem ID:176748
Update Time:2025-04-19
1H-Pyrazole-4-carboxamide,N-ethyl-1-phenyl-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxamide,N-ethyl-1-phenyl-5-(trifluoromethyl)-
- N-ethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
- SCHEMBL2605690
- 1H-Pyrazole-4-carboxamide, N-ethyl-1-phenyl-5-(trifluoromethyl)-
- BHCMEXZOEDQEJJ-UHFFFAOYSA-N
- 98534-36-2
- DTXSID10243683
-
- Inchi： 1S/C13H12F3N3O/c1-2-17-12(20)10-8-18-19(11(10)13(14,15)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,17,20)
- InChI Key： BHCMEXZOEDQEJJ-UHFFFAOYSA-N
- SMILES： FC(C1=C(C(NCC)=O)C=NN1C1C=CC=CC=1)(F)F
Computed Properties
- Exact Mass: 283.093
- Monoisotopic Mass: 283.093
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 342
- 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: 2.5
- Topological Polar Surface Area: 46.9?2
Experimental Properties
- Density: 1.31
- Boiling Point: 401.1°C at 760 mmHg
- Flash Point: 196.4°C
- Refractive Index: 1.545
1H-Pyrazole-4-carboxamide,N-ethyl-1-phenyl-5-(trifluoromethyl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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