1,1,1-trifluoro-4-{4-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]anilino}pent-3-en-2-one
Chemical Structure Depiction of
1,1,1-trifluoro-4-{4-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]anilino}pent-3-en-2-one
1,1,1-trifluoro-4-{4-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]anilino}pent-3-en-2-one
Compound characteristics
| Compound ID: | 3852-0351 |
| Compound Name: | 1,1,1-trifluoro-4-{4-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]anilino}pent-3-en-2-one |
| Molecular Weight: | 423.31 |
| Molecular Formula: | C17 H15 F6 N3 O3 |
| Smiles: | C/C(=C\C(C(F)(F)F)=O)Nc1ccc(cc1)C(N1C(CC(C)=N1)(C(F)(F)F)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8549 |
| logD: | 0.9988 |
| logSw: | -3.3883 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.038 |
| InChI Key: | FFESBHRKLUCJIK-HNNXBMFYSA-N |