2-(4-chlorophenyl)-4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl](3-nitrophenyl)methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl](3-nitrophenyl)methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one
2-(4-chlorophenyl)-4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl](3-nitrophenyl)methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y510-7018 |
| Compound Name: | 2-(4-chlorophenyl)-4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl](3-nitrophenyl)methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 550.4 |
| Molecular Formula: | C27 H21 Cl2 N5 O4 |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)c2c(C)nn(c3ccc(cc3)[Cl])c2O)C(N(c2ccc(cc2)[Cl])N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.242 |
| logD: | 4.453 |
| logSw: | -5.581 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.58 |
| InChI Key: | LWJCBELZWCNVHJ-RUZDIDTESA-N |