5-amino-3-[1-cyano-2-(4-ethoxy-3-iodo-5-methoxyphenyl)ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[1-cyano-2-(4-ethoxy-3-iodo-5-methoxyphenyl)ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-[1-cyano-2-(4-ethoxy-3-iodo-5-methoxyphenyl)ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 1809-0079 |
| Compound Name: | 5-amino-3-[1-cyano-2-(4-ethoxy-3-iodo-5-methoxyphenyl)ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 511.32 |
| Molecular Formula: | C22 H18 I N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(c(c2)I)OCC)OC)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.391 |
| logD: | 4.391 |
| logSw: | -4.5865 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.869 |
| InChI Key: | DTYVZDGJGXPPKA-UHFFFAOYSA-N |