1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide
1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | 3773-0276 |
| Compound Name: | 1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 424.76 |
| Molecular Formula: | C18 H12 Cl F3 N4 O3 |
| Smiles: | C(c1ccccc1)n1c(cc(n1)[N+]([O-])=O)C(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3477 |
| logD: | 2.88 |
| logSw: | -4.6323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.435 |
| InChI Key: | DNAQASCSAFMCHB-UHFFFAOYSA-N |