5-amino-3-{1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2367-1344 |
| Compound Name: | 5-amino-3-{1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 399.41 |
| Molecular Formula: | C21 H17 N7 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(c(c2)[N+]([O-])=O)N(C)C)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1506 |
| logD: | 3.1506 |
| logSw: | -3.5229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.526 |
| InChI Key: | ZSQQXDOOQORDFO-UHFFFAOYSA-N |