1-ethyl-4-(methoxycarbonyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-4-(methoxycarbonyl)-1H-pyrazole-3-carboxylic acid
1-ethyl-4-(methoxycarbonyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1049 |
| Compound Name: | 1-ethyl-4-(methoxycarbonyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 198.17 |
| Molecular Formula: | C8 H10 N2 O4 |
| Smiles: | CCn1cc(C(=O)OC)c(C(O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.1167 |
| logD: | -3.9846 |
| logSw: | -0.7145 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.869 |
| InChI Key: | KKSYMLKAPQQEEW-UHFFFAOYSA-N |