5-amino-3-(1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}ethenyl)-1-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2367-1272 |
| Compound Name: | 5-amino-3-(1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 504.38 |
| Molecular Formula: | C25 H19 Cl2 N7 O |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cn(Cc3ccc(cc3[Cl])[Cl])nc2c2ccccc2)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 3.6038 |
| logD: | 3.6038 |
| logSw: | -4.2301 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.492 |
| InChI Key: | FXJSRGSSTKYRDR-UHFFFAOYSA-N |