5-amino-3-{1-cyano-2-[3-methoxy-4-(pentafluorophenoxy)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[3-methoxy-4-(pentafluorophenoxy)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[3-methoxy-4-(pentafluorophenoxy)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8010-1569 |
| Compound Name: | 5-amino-3-{1-cyano-2-[3-methoxy-4-(pentafluorophenoxy)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 491.38 |
| Molecular Formula: | C22 H14 F5 N5 O3 |
| Smiles: | COc1cc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)ccc1Oc1c(c(c(c(c1F)F)F)F)F |
| Stereo: | ACHIRAL |
| logP: | 3.1859 |
| logD: | 3.1859 |
| logSw: | -3.4767 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.349 |
| InChI Key: | IIOVKOGBLNPLMC-UHFFFAOYSA-N |