N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | 8010-7843 |
| Compound Name: | N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 442.27 |
| Molecular Formula: | C15 H12 F6 N4 O5 |
| Smiles: | Cn1c(C(Nc2cc(cc(c2)OCC(F)(F)F)OCC(F)(F)F)=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1159 |
| logD: | 2.3654 |
| logSw: | -3.4907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.924 |
| InChI Key: | UCQNCDCZQZXZCH-UHFFFAOYSA-N |