2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione
2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4476-4494 |
| Compound Name: | 2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C25 H24 N2 O3 |
| Smiles: | CC1(C)CC(C(=Cc2cn(c3ccccc3)nc2c2ccc(cc2)OC)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.301 |
| logD: | 4.301 |
| logSw: | -4.4233 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.831 |
| InChI Key: | DIRJVRPCQAPXOD-UHFFFAOYSA-N |