3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y501-4194 |
| Compound Name: | 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 198.17 |
| Molecular Formula: | C8 H10 N2 O4 |
| Smiles: | CCOC(c1cc(C(O)=O)n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0194 |
| logD: | -4.3849 |
| logSw: | -0.3969 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.916 |
| InChI Key: | YYGMEUGJPKGHBP-UHFFFAOYSA-N |