N-[4-(cyanomethyl)phenyl]-5-(piperidin-4-yl)-1-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-5-(piperidin-4-yl)-1-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
N-[4-(cyanomethyl)phenyl]-5-(piperidin-4-yl)-1-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1998 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-5-(piperidin-4-yl)-1-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 464.01 |
| Molecular Formula: | C26 H29 N5 O |
| Salt: | HCl |
| Smiles: | CC(C)c1ccc(cc1)n1c(C2CCNCC2)c(cn1)C(Nc1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3473 |
| logD: | -0.1336 |
| logSw: | -3.5156 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.797 |
| InChI Key: | DSFWTGPMEZPDTD-UHFFFAOYSA-N |