methyl 1-{2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-{2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl}-1H-pyrazole-3-carboxylate
methyl 1-{2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8017-5156 |
| Compound Name: | methyl 1-{2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 343.26 |
| Molecular Formula: | C14 H12 F3 N3 O4 |
| Smiles: | COC(c1ccn(CC(Nc2ccc(cc2)OC(F)(F)F)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5814 |
| logD: | 2.5814 |
| logSw: | -3.0413 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.887 |
| InChI Key: | JRLABWRLAQSMLP-UHFFFAOYSA-N |