N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1239 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 476.36 |
| Molecular Formula: | C22 H22 Cl N5 O3 |
| Salt: | HCl |
| Smiles: | C1CNCCC1c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(NCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1633 |
| logD: | -0.3177 |
| logSw: | -3.8055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.009 |
| InChI Key: | PRXJTQLVGSSWCI-UHFFFAOYSA-N |