5-amino-3-[1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-[1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2039-0583 |
| Compound Name: | 5-amino-3-[1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 479.28 |
| Molecular Formula: | C18 H18 I N5 O3 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(c(c2)I)OC)OCC)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 2.0499 |
| logD: | 2.0499 |
| logSw: | -2.3226 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.639 |
| InChI Key: | UNYVDPCAHQRPQZ-UHFFFAOYSA-N |