5-amino-3-(1-cyano-2-{3,5-dibromo-2-[(propan-2-yl)oxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{3,5-dibromo-2-[(propan-2-yl)oxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{3,5-dibromo-2-[(propan-2-yl)oxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8009-3095 |
| Compound Name: | 5-amino-3-(1-cyano-2-{3,5-dibromo-2-[(propan-2-yl)oxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 527.22 |
| Molecular Formula: | C22 H17 Br2 N5 O |
| Smiles: | CC(C)Oc1c(/C=C(C#N)/c2c(C#N)c(N)n(c3ccccc3)n2)cc(cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4337 |
| logD: | 5.4337 |
| logSw: | -5.5328 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.918 |
| InChI Key: | ZJAAUNFAZYFXSX-UHFFFAOYSA-N |