Cas no 98534-55-5 (1H-Pyrazole-4-carboxamide,N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)-)
98534-55-5 structure
Product Name:1H-Pyrazole-4-carboxamide,N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)-
CAS No:98534-55-5
MF:C14H14F3N3O
MW:297.275673389435
CID:817336
PubChem ID:176764
Update Time:2025-04-19
1H-Pyrazole-4-carboxamide,N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxamide,N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)-
- N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
- 1H-Pyrazole-4-carboxamide, N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)-
- DTXSID20243699
- 98534-55-5
- IAMRZYVWMMCYBT-UHFFFAOYSA-N
- SCHEMBL10364978
-
- Inchi： 1S/C14H14F3N3O/c1-3-18-13(21)11-8-19-20(12(11)14(15,16)17)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,18,21)
- InChI Key： IAMRZYVWMMCYBT-UHFFFAOYSA-N
- SMILES： FC(C1=C(C(NCC)=O)C=NN1C1C=CC(C)=CC=1)(F)F
Computed Properties
- Exact Mass: 297.109
- Monoisotopic Mass: 297.109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 367
- 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: 2.8
- Topological Polar Surface Area: 46.9?2
Experimental Properties
- Density: 1.28
- Boiling Point: 410.9°Cat760mmHg
- Flash Point: 202.3°C
- Refractive Index: 1.542
1H-Pyrazole-4-carboxamide,N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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