methyl 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(2,2,2-trifluoroacetamido)propanoate
Chemical Structure Depiction of
methyl 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(2,2,2-trifluoroacetamido)propanoate
methyl 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(2,2,2-trifluoroacetamido)propanoate
Compound characteristics
| Compound ID: | 8013-1400 |
| Compound Name: | methyl 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(2,2,2-trifluoroacetamido)propanoate |
| Molecular Weight: | 439.31 |
| Molecular Formula: | C17 H15 F6 N3 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)C(C(=O)OC)(C(F)(F)F)NC(C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0797 |
| logD: | -6.4444 |
| logSw: | -2.5686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.67 |
| InChI Key: | IOCQQAYXCBYNIS-OAHLLOKOSA-N |