5-amino-3-(1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2367-1172 |
| Compound Name: | 5-amino-3-(1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 536.42 |
| Molecular Formula: | C29 H19 Cl2 N7 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cn(Cc3ccc(cc3[Cl])[Cl])nc2c2ccccc2)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7864 |
| logD: | 5.7864 |
| logSw: | -6.2262 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.723 |
| InChI Key: | DBYZFUZSJWRBNJ-UHFFFAOYSA-N |