5-amino-3-[2-(2-chloro-6-fluorophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[2-(2-chloro-6-fluorophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-[2-(2-chloro-6-fluorophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8007-5086 |
| Compound Name: | 5-amino-3-[2-(2-chloro-6-fluorophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 331.73 |
| Molecular Formula: | C15 H11 Cl F N5 O |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2c(cccc2[Cl])F)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 1.2575 |
| logD: | 1.2575 |
| logSw: | -1.8434 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.711 |
| InChI Key: | OFRYOPUBMUSTAE-UHFFFAOYSA-N |