5-amino-3-(1-cyano-2-{4-[(2-fluorophenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{4-[(2-fluorophenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{4-[(2-fluorophenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8012-0435 |
| Compound Name: | 5-amino-3-(1-cyano-2-{4-[(2-fluorophenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C22 H18 F N5 O2 |
| Smiles: | C(CO)n1c(c(C#N)c(/C(=C/c2ccc(cc2)OCc2ccccc2F)C#N)n1)N |
| Stereo: | ACHIRAL |
| logP: | 2.4835 |
| logD: | 2.4835 |
| logSw: | -2.3276 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.939 |
| InChI Key: | XYIPSFPMWYQVJY-UHFFFAOYSA-N |