5-amino-3-{2-[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{2-[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{2-[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 1809-0450 |
| Compound Name: | 5-amino-3-{2-[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 550.66 |
| Molecular Formula: | C31 H34 N8 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(cc2N2CCC(C)CC2)N2CCC(C)CC2)[N+]([O-])=O)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.793 |
| logD: | 5.793 |
| logSw: | -5.6814 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.326 |
| InChI Key: | QCOXMGIFPDYXEL-UHFFFAOYSA-N |