methyl 4-nitro-1-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 4-nitro-1-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carboxylate
methyl 4-nitro-1-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | C226-4675 |
| Compound Name: | methyl 4-nitro-1-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 399.31 |
| Molecular Formula: | C14 H8 F3 N5 O4 S |
| Smiles: | COC(c1c(cn(c2nc(cc(C(F)(F)F)n2)c2cccs2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.552 |
| logD: | 3.552 |
| logSw: | -3.9451 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.642 |
| InChI Key: | LMIYEFKGHCIXDQ-UHFFFAOYSA-N |