6-{[(1H-pyrazol-3-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[(1H-pyrazol-3-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[(1H-pyrazol-3-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y504-7917 |
| Compound Name: | 6-{[(1H-pyrazol-3-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 249.27 |
| Molecular Formula: | C12 H15 N3 O3 |
| Smiles: | C1C=CCC(C1C(O)=O)C(NCc1cc[nH]n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.1968 |
| logD: | -2.159 |
| logSw: | -1.8968 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.349 |
| InChI Key: | QLOAXGYPYCRQSL-UHFFFAOYSA-N |