Cas no 88398-74-7 (1H-Pyrazole-5-carboxylic acid, 3-ethyl-1-methyl-, methyl ester)
88398-74-7 structure
Product Name:1H-Pyrazole-5-carboxylic acid, 3-ethyl-1-methyl-, methyl ester
CAS No:88398-74-7
MF:C8H12N2O2
MW:168.193081855774
CID:634213
PubChem ID:22167558
Update Time:2025-04-19
1H-Pyrazole-5-carboxylic acid, 3-ethyl-1-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carboxylic acid, 3-ethyl-1-methyl-, methyl ester
- methyl 5-ethyl-2-methylpyrazole-3-carboxylate
- Methyl 3-ethyl-1-methyl-1H-pyrazole-5-carboxylate
- AKOS015226271
- 88398-74-7
- SCHEMBL9199202
- DTXSID20623114
-
- Inchi： 1S/C8H12N2O2/c1-4-6-5-7(8(11)12-3)10(2)9-6/h5H,4H2,1-3H3
- InChI Key： OATMWWPWCJIWGA-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC(CC)=NN1C)=O
Computed Properties
- Exact Mass: 168.089877630g/mol
- Monoisotopic Mass: 168.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 172
- 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: 1.3
- Topological Polar Surface Area: 44.1?2
1H-Pyrazole-5-carboxylic acid, 3-ethyl-1-methyl-, methyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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