methyl 4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]benzoate
Chemical Structure Depiction of
methyl 4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]benzoate
methyl 4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]benzoate
Compound characteristics
| Compound ID: | 2367-1205 |
| Compound Name: | methyl 4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]benzoate |
| Molecular Weight: | 369.38 |
| Molecular Formula: | C21 H15 N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(cc2)C(=O)OC)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2674 |
| logD: | 3.2674 |
| logSw: | -3.5356 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.116 |
| InChI Key: | HENCTKIUHCHVED-UHFFFAOYSA-N |