N-[4-(cyanomethyl)phenyl]-1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
N-[4-(cyanomethyl)phenyl]-1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-0294 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 449.98 |
| Molecular Formula: | C25 H27 N5 O |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1C)n1c(C2CCNCC2)c(cn1)C(Nc1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1367 |
| logD: | -0.3443 |
| logSw: | -3.2942 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.797 |
| InChI Key: | MHPLUPQIGWFLNS-UHFFFAOYSA-N |