N-(2-methoxy-5-nitrophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
N-(2-methoxy-5-nitrophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1201 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 502.91 |
| Molecular Formula: | C22 H22 N6 O6 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1NC(c1cnn(c2ccc(cc2)[N+]([O-])=O)c1C1CCNCC1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.292 |
| logD: | -1.189 |
| logSw: | -2.9962 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122 |
| InChI Key: | WZGZRSSIROAFHO-UHFFFAOYSA-N |