Cas no 113630-76-5 (1H-Pyrazole-1-carboxamide,3-methyl-5-(1-methylethyl)-)
113630-76-5 structure
Product Name:1H-Pyrazole-1-carboxamide,3-methyl-5-(1-methylethyl)-
CAS No:113630-76-5
MF:C8H13N3O
MW:167.208321332932
CID:130230
PubChem ID:13792881
Update Time:2025-04-19
1H-Pyrazole-1-carboxamide,3-methyl-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-1-carboxamide,3-methyl-5-(1-methylethyl)-
- 1H-Pyrazole-1-carboxamide,3-methyl-5-(1-methylethyl)-(9CI)
- 3-methyl-5-propan-2-ylpyrazole-1-carboxamide
- 5-Isopropyl-3-methyl-1H-pyrazole-1-carboxamide
- 113630-76-5
-
- Inchi： 1S/C8H13N3O/c1-5(2)7-4-6(3)10-11(7)8(9)12/h4-5H,1-3H3,(H2,9,12)
- InChI Key： TVSYFZTYBHWLDB-UHFFFAOYSA-N
- SMILES： O=C(N)N1C(=CC(C)=N1)C(C)C
Computed Properties
- Exact Mass: 167.105862047g/mol
- Monoisotopic Mass: 167.105862047g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- 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: 1.1
- Topological Polar Surface Area: 60.9?2
1H-Pyrazole-1-carboxamide,3-methyl-5-(1-methylethyl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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