Cas no 90008-47-2 (1H-Pyrazole-1-carboxamide,5-ethyl-3-methyl-)
90008-47-2 structure
Product Name:1H-Pyrazole-1-carboxamide,5-ethyl-3-methyl-
CAS No:90008-47-2
MF:C7H11N3O
MW:153.181740999222
CID:797894
PubChem ID:13792880
Update Time:2025-04-19
1H-Pyrazole-1-carboxamide,5-ethyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-carboxamide,5-ethyl-3-methyl-
- 1H-Pyrazole-1-carboxamide,5-ethyl-3-methyl-(9CI)
- 5-Ethyl-3-methyl-1H-pyrazole-1-carboxamide
- 90008-47-2
-
- Inchi： 1S/C7H11N3O/c1-3-6-4-5(2)9-10(6)7(8)11/h4H,3H2,1-2H3,(H2,8,11)
- InChI Key： FALQAZJRHXITHW-UHFFFAOYSA-N
- SMILES： O=C(N)N1C(=CC(C)=N1)CC
Computed Properties
- Exact Mass: 153.090211983g/mol
- Monoisotopic Mass: 153.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 0.8
- Topological Polar Surface Area: 60.9?2
1H-Pyrazole-1-carboxamide,5-ethyl-3-methyl- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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