2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
Chemical Structure Depiction of
2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
Compound characteristics
| Compound ID: | C226-4437 |
| Compound Name: | 2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine |
| Molecular Weight: | 397.29 |
| Molecular Formula: | C16 H11 F4 N5 O3 |
| Smiles: | CCOc1c(cn(c2nc(cc(C(F)(F)F)n2)c2ccc(cc2)F)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7829 |
| logD: | 4.7829 |
| logSw: | -4.5678 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.561 |
| InChI Key: | CIMBQTPBLGGWGF-UHFFFAOYSA-N |