5-amino-3-[1-cyano-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[1-cyano-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-[1-cyano-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y508-0659 |
| Compound Name: | 5-amino-3-[1-cyano-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C22 H19 N5 O2 |
| Smiles: | CCOc1ccc(/C=C(C#N)/c2c(C#N)c(N)n(c3ccccc3)n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1209 |
| logD: | 3.1209 |
| logSw: | -3.2448 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.783 |
| InChI Key: | CPNIZWCVOBDXGM-UHFFFAOYSA-N |