4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}benzonitrile
4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | P804-0823 |
| Compound Name: | 4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C21 H18 Cl N5 O |
| Smiles: | C1CN(CCN1C(c1ccc(C#N)cc1)=O)c1cc(c2ccc(cc2)[Cl])n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.6243 |
| logD: | 3.6243 |
| logSw: | -4.1003 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.157 |
| InChI Key: | GAXDVKJFHRHWEZ-UHFFFAOYSA-N |