5-amino-3-{1-cyano-2-[4-(methylsulfanyl)phenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[4-(methylsulfanyl)phenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[4-(methylsulfanyl)phenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 1809-0286 |
| Compound Name: | 5-amino-3-{1-cyano-2-[4-(methylsulfanyl)phenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 357.44 |
| Molecular Formula: | C20 H15 N5 S |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(cc2)SC)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.896 |
| logD: | 3.896 |
| logSw: | -4.4192 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.942 |
| InChI Key: | QFIUMAPVUKBLMR-UHFFFAOYSA-N |