5-amino-3-(1-cyano-2-{3,5-diiodo-2-[(propan-2-yl)oxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{3,5-diiodo-2-[(propan-2-yl)oxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{3,5-diiodo-2-[(propan-2-yl)oxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8008-9836 |
| Compound Name: | 5-amino-3-(1-cyano-2-{3,5-diiodo-2-[(propan-2-yl)oxy]phenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 589.17 |
| Molecular Formula: | C18 H17 I2 N5 O2 |
| Smiles: | CC(C)Oc1c(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)cc(cc1I)I |
| Stereo: | ACHIRAL |
| logP: | 3.5847 |
| logD: | 3.5847 |
| logSw: | -4.033 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.687 |
| InChI Key: | RDJYAJDOSASXAG-UHFFFAOYSA-N |