5-amino-3-(1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8013-1880 |
| Compound Name: | 5-amino-3-(1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C24 H22 F N5 O4 |
| Smiles: | COc1cc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)cc(c1OCc1ccc(cc1)F)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2972 |
| logD: | 2.2972 |
| logSw: | -2.5711 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.373 |
| InChI Key: | VBAMRLOQHYBMEJ-UHFFFAOYSA-N |