methyl 4-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate
methyl 4-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D522-0118 |
| Compound Name: | methyl 4-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate |
| Molecular Weight: | 327.26 |
| Molecular Formula: | C14 H12 F3 N3 O3 |
| Smiles: | [H]c1c(C(Nc2ccc(cc2)C(=O)OC)=O)nn(C)c1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.5267 |
| logD: | 2.5264 |
| logSw: | -3.1119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.019 |
| InChI Key: | YNFAQVPGDKBGMF-UHFFFAOYSA-N |