5-amino-3-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8008-9085 |
| Compound Name: | 5-amino-3-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 432.27 |
| Molecular Formula: | C18 H18 Br N5 O3 |
| Smiles: | CCOc1c(cc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 1.973 |
| logD: | 1.973 |
| logSw: | -2.1212 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.639 |
| InChI Key: | FHGOXPDRIZVPNB-UHFFFAOYSA-N |