5-(methoxycarbonyl)-1-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-(methoxycarbonyl)-1-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid
5-(methoxycarbonyl)-1-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1267 |
| Compound Name: | 5-(methoxycarbonyl)-1-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 226.23 |
| Molecular Formula: | C10 H14 N2 O4 |
| Smiles: | CC(C)Cn1c(cc(C(O)=O)n1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.9127 |
| logD: | -2.5601 |
| logSw: | -0.9666 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.05 |
| InChI Key: | BPZAYGZEVJGZJB-UHFFFAOYSA-N |