[1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
[1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
[1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-0391 |
| Compound Name: | [1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 525.05 |
| Molecular Formula: | C27 H32 N6 O3 |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1C)n1c(C2CCNCC2)c(cn1)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.609 |
| logD: | 0.128 |
| logSw: | -3.5196 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.504 |
| InChI Key: | CMVLCOVQJGIEJB-UHFFFAOYSA-N |