5-amino-3-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile
5-amino-3-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2237-1659 |
| Compound Name: | 5-amino-3-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 281.27 |
| Molecular Formula: | C14 H11 N5 O2 |
| Smiles: | COc1cc(/C=C(C#N)/c2c(C#N)c(N)[nH]n2)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 0.9284 |
| logD: | 0.9235 |
| logSw: | -1.8591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.486 |
| InChI Key: | WCAKSXQRFBVWDG-UHFFFAOYSA-N |