4-{4-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}benzonitrile
4-{4-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | G639-3616 |
| Compound Name: | 4-{4-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C21 H18 N6 O2 |
| Smiles: | C1CN(CCN1C(c1ccc(C#N)cc1)=O)C(c1cc(c2cccnc2)[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0181 |
| logD: | 1.018 |
| logSw: | -1.4389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.407 |
| InChI Key: | BFIRKHXIMHGFLQ-UHFFFAOYSA-N |