N-[3-(4-methylpiperazin-1-yl)propyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1267 |
| Compound Name: | N-[3-(4-methylpiperazin-1-yl)propyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 492.02 |
| Molecular Formula: | C23 H33 N7 O3 |
| Salt: | HCl |
| Smiles: | CN1CCN(CCCNC(c2cnn(c3ccc(cc3)[N+]([O-])=O)c2C2CCNCC2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.5748 |
| logD: | -2.9062 |
| logSw: | -2.0805 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.31 |
| InChI Key: | JCQBFTWVSLIIQJ-UHFFFAOYSA-N |