methyl 3-(difluoromethyl)-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 3-(difluoromethyl)-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate
methyl 3-(difluoromethyl)-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | Y507-3985 |
| Compound Name: | methyl 3-(difluoromethyl)-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 297.22 |
| Molecular Formula: | C12 H9 F2 N3 O4 |
| Smiles: | COC(c1cn(c2ccc(cc2)[N+]([O-])=O)nc1C(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5564 |
| logD: | 2.5564 |
| logSw: | -2.6589 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.698 |
| InChI Key: | IYFADHNKVQKLFJ-UHFFFAOYSA-N |