3-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}benzonitrile
3-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | P804-1325 |
| Compound Name: | 3-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | COc1ccc(cc1)c1cc([nH]n1)N1CCN(CC1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8947 |
| logD: | 2.8947 |
| logSw: | -3.425 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.7 |
| InChI Key: | WLYLKVDTDAJJNF-UHFFFAOYSA-N |