5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 1809-0464 |
| Compound Name: | 5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 575.79 |
| Molecular Formula: | C23 H19 Cl I N5 O3 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(c(c2)I)OCc2ccc(cc2)[Cl])OC)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 3.9192 |
| logD: | 3.9192 |
| logSw: | -4.6522 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.743 |
| InChI Key: | SCWHZFCZARGZDS-UHFFFAOYSA-N |