5-amino-3-{1-cyano-2-[4-(methylsulfanyl)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[4-(methylsulfanyl)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[4-(methylsulfanyl)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
Compound ID: | 1809-0279 |
Compound Name: | 5-amino-3-{1-cyano-2-[4-(methylsulfanyl)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
Molecular Weight: | 325.39 |
Molecular Formula: | C16 H15 N5 O S |
Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(cc2)SC)C#N)nn1CCO[H] |
Stereo: | ACHIRAL |
logP: | 1.7135 |
logD: | 1.7135 |
logSw: | -1.8037 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 84.711 |
InChI Key: | WIBWFQUYFBDBHC-UHFFFAOYSA-N |