4-{[1-(2,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[1-(2,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
4-{[1-(2,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-8497 |
| Compound Name: | 4-{[1-(2,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C24 H24 N4 O2 |
| Smiles: | CC1/C(=C/c2c(C)nn(c3ccc(C)cc3C)c2O)C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4571 |
| logD: | 3.2591 |
| logSw: | -4.2594 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.136 |
| InChI Key: | JTMNDQQKGZIBLZ-UHFFFAOYSA-N |