2-{2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzonitrile
Chemical Structure Depiction of
2-{2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzonitrile
2-{2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzonitrile
Compound characteristics
| Compound ID: | 1697-1567 |
| Compound Name: | 2-{2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzonitrile |
| Molecular Weight: | 348.32 |
| Molecular Formula: | C17 H12 N6 O3 |
| Smiles: | CC1\C(C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O)=N/Nc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 3.2977 |
| logD: | 3.2972 |
| logSw: | -3.7987 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.302 |
| InChI Key: | DBYAIHUDNMXNKT-UHFFFAOYSA-N |