Cas no 98534-56-6 (1H-Pyrazole-4-carboxamide,N,N-diethyl-1-(4-methylphenyl)-5-(trifluoromethyl)-)
98534-56-6 structure
Product Name:1H-Pyrazole-4-carboxamide,N,N-diethyl-1-(4-methylphenyl)-5-(trifluoromethyl)-
CAS No:98534-56-6
MF:C16H18F3N3O
MW:325.328834056854
CID:815063
PubChem ID:176765
Update Time:2025-04-19
1H-Pyrazole-4-carboxamide,N,N-diethyl-1-(4-methylphenyl)-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxamide,N,N-diethyl-1-(4-methylphenyl)-5-(trifluoromethyl)-
- N,N-diethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
- SCHEMBL10365470
- 1H-Pyrazole-4-carboxamide, N,N-diethyl-1-(4-methylphenyl)-5-(trifluoromethyl)-
- RYEIQWAPIITYDJ-UHFFFAOYSA-N
- 98534-56-6
- DTXSID70243700
-
- Inchi： 1S/C16H18F3N3O/c1-4-21(5-2)15(23)13-10-20-22(14(13)16(17,18)19)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3
- InChI Key： RYEIQWAPIITYDJ-UHFFFAOYSA-N
- SMILES： FC(C1=C(C=NN1C1C=CC(C)=CC=1)C(N(CC)CC)=O)(F)F
Computed Properties
- Exact Mass: 325.140197
- Monoisotopic Mass: 325.140197
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 404
- 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
- Topological Polar Surface Area: 38.1
- XLogP3: 3.4
Experimental Properties
- Density: 1.21
- Boiling Point: 429.5°Cat760mmHg
- Flash Point: 213.5°C
- Refractive Index: 1.528
1H-Pyrazole-4-carboxamide,N,N-diethyl-1-(4-methylphenyl)-5-(trifluoromethyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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