methyl 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate
methyl 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | C226-4503 |
| Compound Name: | methyl 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 423.31 |
| Molecular Formula: | C17 H12 F3 N5 O5 |
| Smiles: | COC(c1c(cn(c2nc(cc(C(F)(F)F)n2)c2ccc(cc2)OC)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8902 |
| logD: | 3.8902 |
| logSw: | -4.1693 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.167 |
| InChI Key: | OADUWJRMPRYANA-UHFFFAOYSA-N |