5-amino-3-(1-cyano-2-{3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2144-0998 |
| Compound Name: | 5-amino-3-(1-cyano-2-{3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 557.24 |
| Molecular Formula: | C23 H19 Br2 N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(c(c2)[Br])OCc2ccc(C)cc2)[Br])C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 4.2015 |
| logD: | 4.2015 |
| logSw: | -4.5815 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.112 |
| InChI Key: | DYXWYNMHWLMEDK-UHFFFAOYSA-N |