N-(4-bromo-2,3,5,6-tetrafluorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2,3,5,6-tetrafluorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-(4-bromo-2,3,5,6-tetrafluorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-1843 |
| Compound Name: | N-(4-bromo-2,3,5,6-tetrafluorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 397.08 |
| Molecular Formula: | C11 H5 Br F4 N4 O3 |
| Smiles: | Cn1cc(c(C(Nc2c(c(c(c(c2F)F)[Br])F)F)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.44 |
| logD: | -4.7141 |
| logSw: | -2.7344 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.37 |
| InChI Key: | QXLNPEHUEPWMPZ-UHFFFAOYSA-N |