5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
5-ethoxycarbonyl-1-methylpyrazole-3-carboxylic acid
Also Known As: 5-(ethoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid|1-Methyl-1H-pyrazole-3,5-dicarboxylic acid 5-ethyl ester|BAS 13521446|FS-5888|5-ethoxycarbonyl-1-methylpyrazole-3-carboxylic acid|5-(ethoxycarbonyl)-1-methylpyrazole-3-carboxylic acid|5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate|BB 0259718|Z-1422|5-ethoxycarbonyl-1-methyl-pyrazole-3-carboxylic acid|1H-Pyrazole-3,5-dicarboxylicacid,1-methyl-,5-ethylester(9CI)|1H-Pyrazole-3,5-dicarboxylicacid,1-methyl-,5-ethylester|5-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylicacid|1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-, 5-ethyl ester (9CI)|859-703-3
| Molecular Formula | C8H10N2O4 |
|---|---|
| Molecular Weight | 198.06406 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.06406 |
| Monoisotopic Mass | 198.06406 |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 512809-16-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1C)C(=O)O |
| InChIKey | JLSQQJCFVRBJAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate (CAS 512809-16-4), with molecular formula C8H10N2O4 and molecular weight 198.06406 g/mol. IUPAC: 5-ethoxycarbonyl-1-methylpyrazole-3-carboxylic acid.