[1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl][4-(pyridin-2-yl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
[1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl][4-(pyridin-2-yl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
[1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl][4-(pyridin-2-yl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1195 |
| Compound Name: | [1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl][4-(pyridin-2-yl)piperazin-1-yl]methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 497.98 |
| Molecular Formula: | C24 H27 N7 O3 |
| Salt: | HCl |
| Smiles: | C1CNCCC1c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0276 |
| logD: | -1.4534 |
| logSw: | -2.5834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.016 |
| InChI Key: | NEVCEASORWLVBR-UHFFFAOYSA-N |