ethyl 4-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate
ethyl 4-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D522-0074 |
| Compound Name: | ethyl 4-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate |
| Molecular Weight: | 341.29 |
| Molecular Formula: | C15 H14 F3 N3 O3 |
| Smiles: | [H]c1c(C(Nc2ccc(cc2)C(=O)OCC)=O)nn(C)c1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.0374 |
| logD: | 3.0371 |
| logSw: | -3.4505 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.599 |
| InChI Key: | ITBUJHRDFQJIBO-UHFFFAOYSA-N |