ethyl 5-{4-[4-(3-cyanobenzoyl)piperazin-1-yl]phenyl}-1-(2-methylphenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{4-[4-(3-cyanobenzoyl)piperazin-1-yl]phenyl}-1-(2-methylphenyl)-1H-pyrazole-3-carboxylate
ethyl 5-{4-[4-(3-cyanobenzoyl)piperazin-1-yl]phenyl}-1-(2-methylphenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V001-9418 |
| Compound Name: | ethyl 5-{4-[4-(3-cyanobenzoyl)piperazin-1-yl]phenyl}-1-(2-methylphenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 519.6 |
| Molecular Formula: | C31 H29 N5 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1cc(c2ccc(cc2)N2CCN(CC2)C(c2cccc(C#N)c2)=O)n(c2ccccc2C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.937 |
| logD: | 4.937 |
| logSw: | -4.6875 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.479 |
| InChI Key: | JMSVKAHJVMEIFZ-UHFFFAOYSA-N |