N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-3-cyanobenzamide
Chemical Structure Depiction of
N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-3-cyanobenzamide
N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-3-cyanobenzamide
Compound characteristics
| Compound ID: | P809-0801 |
| Compound Name: | N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-3-cyanobenzamide |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C21 H18 Cl N5 O |
| Smiles: | C1CN(CC1NC(c1cccc(C#N)c1)=O)c1cc(c2ccc(cc2)[Cl])n[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7978 |
| logD: | 3.7978 |
| logSw: | -4.5703 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.946 |
| InChI Key: | ILXBLHKQOTWNDN-GOSISDBHSA-N |