Cas no 88398-72-5 (1H-Pyrazole-3-carboxylic acid, 5-ethyl-1-methyl-, methyl ester)
88398-72-5 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 5-ethyl-1-methyl-, methyl ester
CAS No:88398-72-5
MF:C8H12N2O2
MW:168.193081855774
CID:634214
PubChem ID:22167570
Update Time:2025-04-19
1H-Pyrazole-3-carboxylic acid, 5-ethyl-1-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 5-ethyl-1-methyl-, methyl ester
- methyl 5-ethyl-1-methylpyrazole-3-carboxylate
- AKOS011550559
- SCHEMBL9197577
- Methyl 5-ethyl-1-methyl-1H-pyrazole-3-carboxylate
- DTXSID10623123
- 88398-72-5
-
- Inchi： 1S/C8H12N2O2/c1-4-6-5-7(8(11)12-3)9-10(6)2/h5H,4H2,1-3H3
- InChI Key： ODDYYVJKFBWQFL-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(CC)N(C)N=1)=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-3-carboxylic acid, 5-ethyl-1-methyl-, methyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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