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 |