5-amino-3-{1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl}-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl}-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl}-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2237-1695 |
| Compound Name: | 5-amino-3-{1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl}-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 323.31 |
| Molecular Formula: | C15 H13 N7 O2 |
| Smiles: | CN(C)c1ccc(/C=C(C#N)/c2c(C#N)c(N)[nH]n2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7206 |
| logD: | 1.7171 |
| logSw: | -2.2553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.892 |
| InChI Key: | YJBDQTLRSMWFBK-BJMVGYQFSA-N |