4-(methoxycarbonyl)-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
4-(methoxycarbonyl)-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
4-(methoxycarbonyl)-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1050 |
| Compound Name: | 4-(methoxycarbonyl)-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 212.2 |
| Molecular Formula: | C9 H12 N2 O4 |
| Smiles: | CC(C)n1cc(C(=O)OC)c(C(O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.45 |
| logD: | -3.4179 |
| logSw: | -0.983 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.328 |
| InChI Key: | VVQILFYIGVXDQA-UHFFFAOYSA-N |