Cas no 54866-59-0 (Methyl 1H-pyrazole-4-carboxylate)
54866-59-0 structure
Product Name:Methyl 1H-pyrazole-4-carboxylate
CAS No:54866-59-0
MF:C5H6N2O2
MW:126.113340854645
CID:942997
Update Time:2023-08-02
Methyl 1H-pyrazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, methyl ester, radical ion(1-) (9CI)
- Methyl 1H-pyrazole-4-carboxylate
- 1H-PYRAZOLE-4-CARBOXYLIC ACID, METHYL ESTER
- Methyl 4-pyrazolecarboxylate
- methyl pyrazole-4-carboxylate
- 4-methoxycarbonyl-1H-pyrazole
- 1H-pyrazole-4-carboxylic acid methyl ester
- zlchem 766
- 4-carbomethoxypyrazole
- 4-(methoxycarbonyl)pyrazole
- KSC593M3R
- methyl 1H-pyrazol-4-carboxylate
- ZLD0224
- VFTZKSMAJVLWOV-UHFFFAOYSA-N
- 7085AB
- STL412484
- SBB036140
- EBD489804
- BBL038232
-
- Inchi： 1S/C5H6N2O2/c1-9-5(8)4-2-6-7-3-4/h2-3H,1H3,(H,6,7)
- InChI Key： VFTZKSMAJVLWOV-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=NNC=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 116
- Topological Polar Surface Area: 55
Methyl 1H-pyrazole-4-carboxylate Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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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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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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