N-[(4-methylphenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
N-[(4-methylphenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1177 |
| Compound Name: | N-[(4-methylphenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C23 H25 N5 O3 |
| Salt: | HCl |
| Smiles: | Cc1ccc(CNC(c2cnn(c3ccc(cc3)[N+]([O-])=O)c2C2CCNCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8893 |
| logD: | -0.5917 |
| logSw: | -3.3406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.009 |
| InChI Key: | FDCYEYKUJFIWAO-UHFFFAOYSA-N |