5-amino-3-[2-(2-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[2-(2-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-[2-(2-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 1809-0418 |
| Compound Name: | 5-amino-3-[2-(2-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 418.25 |
| Molecular Formula: | C17 H16 Br N5 O3 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(cc2[Br])OC)OC)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 0.9427 |
| logD: | 0.9427 |
| logSw: | -1.3747 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.972 |
| InChI Key: | MIPAAALTEODOFU-UHFFFAOYSA-N |