5-amino-3-(2-{5-chloro-2-[(4-chlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{5-chloro-2-[(4-chlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{5-chloro-2-[(4-chlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 3601-0782 |
| Compound Name: | 5-amino-3-(2-{5-chloro-2-[(4-chlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 454.31 |
| Molecular Formula: | C22 H17 Cl2 N5 O2 |
| Smiles: | C(CO)n1c(c(C#N)c(/C(=C/c2cc(ccc2OCc2ccc(cc2)[Cl])[Cl])C#N)n1)N |
| Stereo: | ACHIRAL |
| logP: | 3.862 |
| logD: | 3.862 |
| logSw: | -4.6 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.025 |
| InChI Key: | FRCSKCYVUNOGQS-UHFFFAOYSA-N |