6-{[(1-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[(1-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[(1-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-0430 |
| Compound Name: | 6-{[(1-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 263.29 |
| Molecular Formula: | C13 H17 N3 O3 |
| Smiles: | Cn1cc(CNC(C2CC=CCC2C(O)=O)=O)cn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1897 |
| logD: | -2.5455 |
| logSw: | -1.544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.061 |
| InChI Key: | NVKJMMZZYDHHBL-UHFFFAOYSA-N |