ethyl 1-(2-chlorophenyl)-5-{4-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-chlorophenyl)-5-{4-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
ethyl 1-(2-chlorophenyl)-5-{4-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V002-9911 |
| Compound Name: | ethyl 1-(2-chlorophenyl)-5-{4-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 540.02 |
| Molecular Formula: | C30 H26 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1cc(c2ccc(cc2)N2CCN(CC2)C(c2ccc(C#N)cc2)=O)n(c2ccccc2[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.086 |
| logD: | 5.086 |
| logSw: | -5.5369 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.479 |
| InChI Key: | LXALJIIVDVOSNQ-UHFFFAOYSA-N |