5-amino-3-[1-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[1-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile
5-amino-3-[1-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2237-1727 |
| Compound Name: | 5-amino-3-[1-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 295.3 |
| Molecular Formula: | C15 H13 N5 O2 |
| Smiles: | COc1ccc(/C=C(C#N)/c2c(C#N)c(N)[nH]n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3452 |
| logD: | 1.3418 |
| logSw: | -1.9211 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.569 |
| InChI Key: | UOXKUPAEYHOLNC-UHFFFAOYSA-N |