N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y508-3689 |
| Compound Name: | N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 346.24 |
| Molecular Formula: | C13 H10 F4 N4 O3 |
| Smiles: | Cc1c(c(C(Nc2cc(ccc2F)C(F)(F)F)=O)n(C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7584 |
| logD: | -0.0597 |
| logSw: | -3.3659 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.28 |
| InChI Key: | JTIRHDXBLBCRHC-UHFFFAOYSA-N |