3-[1-cyano-2-(2,5-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-5-{[(4-methylphenyl)methylidene]amino}-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
3-[1-cyano-2-(2,5-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-5-{[(4-methylphenyl)methylidene]amino}-1H-pyrazole-4-carbonitrile
3-[1-cyano-2-(2,5-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-5-{[(4-methylphenyl)methylidene]amino}-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8009-9422 |
| Compound Name: | 3-[1-cyano-2-(2,5-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-5-{[(4-methylphenyl)methylidene]amino}-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C25 H23 N5 O3 |
| Smiles: | Cc1ccc(/C=N/c2c(C#N)c(/C(=C/c3cc(ccc3OC)OC)C#N)nn2CCO)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5505 |
| logD: | 3.5505 |
| logSw: | -3.8016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.434 |
| InChI Key: | GBESXFQKGKRNLR-UHFFFAOYSA-N |