methyl 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate
methyl 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | C226-4632 |
| Compound Name: | methyl 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 453.33 |
| Molecular Formula: | C18 H14 F3 N5 O6 |
| Smiles: | COC(c1c(cn(c2nc(cc(C(F)(F)F)n2)c2ccc(c(c2)OC)OC)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4085 |
| logD: | 3.4085 |
| logSw: | -3.8919 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.884 |
| InChI Key: | ZGEQRHXYVQEMQN-UHFFFAOYSA-N |