5-amino-3-{1-cyano-2-[5-nitro-2,4-di(piperidin-1-yl)phenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[5-nitro-2,4-di(piperidin-1-yl)phenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[5-nitro-2,4-di(piperidin-1-yl)phenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2039-0491 |
| Compound Name: | 5-amino-3-{1-cyano-2-[5-nitro-2,4-di(piperidin-1-yl)phenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 522.61 |
| Molecular Formula: | C29 H30 N8 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(cc2N2CCCCC2)N2CCCCC2)[N+]([O-])=O)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1323 |
| logD: | 5.1323 |
| logSw: | -5.4572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.326 |
| InChI Key: | DXMUXLUTHQVNME-UHFFFAOYSA-N |