5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(pentafluorophenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(pentafluorophenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide
5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(pentafluorophenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y509-0901 |
| Compound Name: | 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(pentafluorophenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 497.34 |
| Molecular Formula: | C19 H12 F5 N7 O4 |
| Smiles: | Cc1c(Cn2cc(cn2)[N+]([O-])=O)c(C(Nc2cnn(Cc3c(c(c(c(c3F)F)F)F)F)c2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.5986 |
| logD: | 2.5968 |
| logSw: | -2.7351 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.954 |
| InChI Key: | KDBRSPMUZVPHDX-UHFFFAOYSA-N |