6-[(1-benzyl-4-chloro-1H-pyrazol-3-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(1-benzyl-4-chloro-1H-pyrazol-3-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-[(1-benzyl-4-chloro-1H-pyrazol-3-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-8415 |
| Compound Name: | 6-[(1-benzyl-4-chloro-1H-pyrazol-3-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 387.86 |
| Molecular Formula: | C20 H22 Cl N3 O3 |
| Smiles: | CC1CC(C(CC=1C)C(Nc1c(cn(Cc2ccccc2)n1)[Cl])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1052 |
| logD: | 0.7494 |
| logSw: | -3.2387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.851 |
| InChI Key: | NPZRXFZLSOAUEU-UHFFFAOYSA-N |