2-(4-chlorophenyl)-4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(4-chlorophenyl)-4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-8425 |
| Compound Name: | 2-(4-chlorophenyl)-4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 427.29 |
| Molecular Formula: | C21 H16 Cl2 N4 O2 |
| Smiles: | CC1/C(=C/c2c(C)nn(c3ccc(cc3)[Cl])c2O)C(N(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1231 |
| logD: | 2.4514 |
| logSw: | -4.3171 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.437 |
| InChI Key: | RQWPOQSYOJOYLX-UHFFFAOYSA-N |