5-amino-3-[1-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[1-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-[1-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y508-0412 |
| Compound Name: | 5-amino-3-[1-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C17 H17 N5 O3 |
| Smiles: | COc1ccc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.5927 |
| logD: | 0.5927 |
| logSw: | -1.6881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.972 |
| InChI Key: | YABLXOCXXRPJRR-UHFFFAOYSA-N |