N-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
N-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1150 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 487.94 |
| Molecular Formula: | C23 H25 N5 O5 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1OC)NC(c1cnn(c2ccc(cc2)[N+]([O-])=O)c1C1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0372 |
| logD: | -1.4438 |
| logSw: | -2.9355 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.948 |
| InChI Key: | LMIVEZURNWCEGT-UHFFFAOYSA-N |