5-amino-3-{1-cyano-2-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2144-0928 |
| Compound Name: | 5-amino-3-{1-cyano-2-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C25 H23 N7 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(c(c2)[N+]([O-])=O)N2CCCC(C)C2)C#N)nn1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0666 |
| logD: | 4.0666 |
| logSw: | -4.4507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.107 |
| InChI Key: | MFSRCSDTQYRLEL-KRWDZBQOSA-N |