Cas no 232281-31-1 (3-Cyano-1-methyl-1H-pyrazole-5-carboxamide)
232281-31-1 structure
Product Name:3-Cyano-1-methyl-1H-pyrazole-5-carboxamide
CAS No:232281-31-1
MF:C6H6N4O
MW:150.138040065765
CID:245310
Update Time:2023-08-02
3-Cyano-1-methyl-1H-pyrazole-5-carboxamide Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-5-carboxamide,3-cyano-1-methyl-
- 1H-Pyrazole-5-carboxamide,3-cyano-1-methyl-(9CI)
- 3-cyano-1-methyl-1H-pyrazole-5-carboxamide
- 3-Cyano-1-methyl-1H-pyrazole-5-carboxamide
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- Inchi： 1S/C6H6N4O/c1-10-5(6(8)11)2-4(3-7)9-10/h2H,1H3,(H2,8,11)
- InChI Key： VXNFNHZXZAAYLG-UHFFFAOYSA-N
- SMILES： O=C(C1=CC(C#N)=NN1C)N
Computed Properties
- Exact Mass: 150.054
- Monoisotopic Mass: 150.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 218
- 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: 84.7
3-Cyano-1-methyl-1H-pyrazole-5-carboxamide Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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