4-{2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzonitrile
Chemical Structure Depiction of
4-{2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzonitrile
4-{2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzonitrile
Compound characteristics
| Compound ID: | 1652-2184 |
| Compound Name: | 4-{2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzonitrile |
| Molecular Weight: | 410.39 |
| Molecular Formula: | C22 H14 N6 O3 |
| Smiles: | C(c1ccc(cc1)N/N=C1/C(c2ccc(cc2)[N+]([O-])=O)=NN(C1=O)c1ccccc1)#N |
| Stereo: | ACHIRAL |
| logP: | 4.1639 |
| logD: | 4.1637 |
| logSw: | -4.5048 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.555 |
| InChI Key: | XUJKKAPSEJATCJ-UHFFFAOYSA-N |