Cas no 1177279-70-7 (1-Ethyl-5-methyl-1H-pyrazole-4-carboxamide)
1177279-70-7 structure
Product Name:1-Ethyl-5-methyl-1H-pyrazole-4-carboxamide
CAS No:1177279-70-7
MF:C7H11N3O
MW:153.181740999222
CID:5167088
Update Time:2023-08-24
1-Ethyl-5-methyl-1H-pyrazole-4-carboxamide Chemical and Physical Properties
Names and Identifiers
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- 1-Ethyl-5-methyl-1H-pyrazole-4-carboxamide
- STL587932
- 1H-Pyrazole-4-carboxamide, 1-ethyl-5-methyl-
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- Inchi： 1S/C7H11N3O/c1-3-10-5(2)6(4-9-10)7(8)11/h4H,3H2,1-2H3,(H2,8,11)
- InChI Key： ASQOAGSLLSWLMK-UHFFFAOYSA-N
- SMILES： O=C(C1C=NN(CC)C=1C)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 160
- XLogP3: -0.2
- Topological Polar Surface Area: 60.9
1-Ethyl-5-methyl-1H-pyrazole-4-carboxamide Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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