5-amino-3-{1-cyano-2-[4-(cyanomethoxy)-3-methoxyphenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[4-(cyanomethoxy)-3-methoxyphenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[4-(cyanomethoxy)-3-methoxyphenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8007-7944 |
| Compound Name: | 5-amino-3-{1-cyano-2-[4-(cyanomethoxy)-3-methoxyphenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 396.41 |
| Molecular Formula: | C22 H16 N6 O2 |
| Smiles: | COc1cc(/C=C(C#N)/c2c(C#N)c(N)n(c3ccccc3)n2)ccc1OCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.2364 |
| logD: | 2.2364 |
| logSw: | -2.5832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.569 |
| InChI Key: | DLCBHEIAJOUUMG-UHFFFAOYSA-N |