5-amino-3-(2-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2367-1134 |
| Compound Name: | 5-amino-3-(2-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 449.9 |
| Molecular Formula: | C23 H20 Cl N5 O3 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cccc(c2OCc2ccccc2[Cl])OC)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 2.7834 |
| logD: | 2.7834 |
| logSw: | -3.2917 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.743 |
| InChI Key: | KYXXIJKURRVADG-UHFFFAOYSA-N |