5,5-dimethyl-3-{[3-(4-methylphenyl)-1H-pyrazol-5-yl]amino}cyclohex-2-en-1-one
Chemical Structure Depiction of
5,5-dimethyl-3-{[3-(4-methylphenyl)-1H-pyrazol-5-yl]amino}cyclohex-2-en-1-one
5,5-dimethyl-3-{[3-(4-methylphenyl)-1H-pyrazol-5-yl]amino}cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 7428-3078 |
| Compound Name: | 5,5-dimethyl-3-{[3-(4-methylphenyl)-1H-pyrazol-5-yl]amino}cyclohex-2-en-1-one |
| Molecular Weight: | 295.38 |
| Molecular Formula: | C18 H21 N3 O |
| Smiles: | Cc1ccc(cc1)c1cc(NC2CC(C)(C)CC(C=2)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.818 |
| logD: | 3.8147 |
| logSw: | -3.9388 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.323 |
| InChI Key: | QEGSHOVKBNEJAD-UHFFFAOYSA-N |