methyl (5-oxo-1-phenyl-4-{1-[2-(trifluoromethyl)anilino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl)acetate
Chemical Structure Depiction of
methyl (5-oxo-1-phenyl-4-{1-[2-(trifluoromethyl)anilino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl)acetate
methyl (5-oxo-1-phenyl-4-{1-[2-(trifluoromethyl)anilino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl)acetate
Compound characteristics
| Compound ID: | Y020-9748 |
| Compound Name: | methyl (5-oxo-1-phenyl-4-{1-[2-(trifluoromethyl)anilino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl)acetate |
| Molecular Weight: | 417.39 |
| Molecular Formula: | C21 H18 F3 N3 O3 |
| Smiles: | C/C(=C1/C(CC(=O)OC)=NN(C1=O)c1ccccc1)Nc1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.7111 |
| logD: | 3.7102 |
| logSw: | -4.1585 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.42 |
| InChI Key: | MPBBTKDDWBGJDZ-UHFFFAOYSA-N |