5-amino-3-(1-cyano-2-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8012-8903 |
| Compound Name: | 5-amino-3-(1-cyano-2-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 429.36 |
| Molecular Formula: | C20 H14 F3 N5 O3 |
| Smiles: | C(CO)n1c(c(C#N)c(/C(=C/c2ccc(c3ccc(cc3)OC(F)(F)F)o2)C#N)n1)N |
| Stereo: | ACHIRAL |
| logP: | 3.3746 |
| logD: | 3.3746 |
| logSw: | -3.5891 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.218 |
| InChI Key: | LFHUACNQBNCWKU-UHFFFAOYSA-N |