5-amino-3-(1-cyano-2-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8009-6258 |
| Compound Name: | 5-amino-3-(1-cyano-2-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C24 H22 F N5 O3 |
| Smiles: | CCOc1cc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)ccc1OCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.3084 |
| logD: | 2.3084 |
| logSw: | -2.4341 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.236 |
| InChI Key: | LHKWJOKUWLKUSU-UHFFFAOYSA-N |