N-(2,3-dimethylphenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
N-(2,3-dimethylphenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1167 |
| Compound Name: | N-(2,3-dimethylphenyl)-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: | Cc1cccc(c1C)NC(c1cnn(c2ccc(cc2)[N+]([O-])=O)c1C1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.331 |
| logD: | -0.15 |
| logSw: | -3.4733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.989 |
| InChI Key: | CYZZPAOLQNGTKI-UHFFFAOYSA-N |