methyl 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate
methyl 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | C226-4718 |
| Compound Name: | methyl 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 383.24 |
| Molecular Formula: | C14 H8 F3 N5 O5 |
| Smiles: | COC(c1c(cn(c2nc(cc(C(F)(F)F)n2)c2ccco2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8141 |
| logD: | 2.8141 |
| logSw: | -3.3266 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.202 |
| InChI Key: | QGNOQKLJVYRWSI-UHFFFAOYSA-N |