5-amino-3-(2-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2144-0725 |
| Compound Name: | 5-amino-3-(2-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 437.86 |
| Molecular Formula: | C22 H17 Cl F N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(cc2)OCc2c(cccc2[Cl])F)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 3.0052 |
| logD: | 3.0052 |
| logSw: | -3.5453 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.939 |
| InChI Key: | IGOYNHSEMVUGRN-UHFFFAOYSA-N |