5-amino-3-[2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-[2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8007-8318 |
| Compound Name: | 5-amino-3-[2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 432.27 |
| Molecular Formula: | C18 H18 Br N5 O3 |
| Smiles: | CCOc1cc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)cc(c1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.8173 |
| logD: | 1.8173 |
| logSw: | -1.7625 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.639 |
| InChI Key: | PTCDVQRHWMQPSQ-UHFFFAOYSA-N |