5-amino-3-{2-[3-bromo-4-(dimethylamino)phenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{2-[3-bromo-4-(dimethylamino)phenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{2-[3-bromo-4-(dimethylamino)phenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8009-6251 |
| Compound Name: | 5-amino-3-{2-[3-bromo-4-(dimethylamino)phenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 433.31 |
| Molecular Formula: | C21 H17 Br N6 |
| Smiles: | CN(C)c1ccc(/C=C(C#N)/c2c(C#N)c(N)n(c3ccccc3)n2)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8741 |
| logD: | 3.8741 |
| logSw: | -4.3983 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.446 |
| InChI Key: | VMEJWZLZHWYZBU-UHFFFAOYSA-N |