4-(methoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
4-(methoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid
4-(methoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1226 |
| Compound Name: | 4-(methoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 184.15 |
| Molecular Formula: | C7 H8 N2 O4 |
| Smiles: | Cn1cc(C(=O)OC)c(C(O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.5312 |
| logD: | -4.3991 |
| logSw: | -0.6417 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.176 |
| InChI Key: | KGSSRKJNMQRGBL-UHFFFAOYSA-N |