3-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)propanenitrile
Chemical Structure Depiction of
3-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)propanenitrile
3-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)propanenitrile
Compound characteristics
| Compound ID: | V018-2931 |
| Compound Name: | 3-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)propanenitrile |
| Molecular Weight: | 419.91 |
| Molecular Formula: | C23 H22 Cl N5 O |
| Salt: | not_available |
| Smiles: | C(CN1CCN(CC1)C(c1ccc(cc1)c1cc(c2ccc(cc2)[Cl])n[nH]1)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 3.4098 |
| logD: | 3.4095 |
| logSw: | -3.9841 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.387 |
| InChI Key: | GRVUBVDSIWKVAL-UHFFFAOYSA-N |