N-(4-chloro-2-nitrophenyl)-1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-nitrophenyl)-1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxamide
N-(4-chloro-2-nitrophenyl)-1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-7529 |
| Compound Name: | N-(4-chloro-2-nitrophenyl)-1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 440.76 |
| Molecular Formula: | C18 H12 Cl F3 N4 O4 |
| Smiles: | C(n1ccc(C(Nc2ccc(cc2[N+]([O-])=O)[Cl])=O)n1)Oc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6262 |
| logD: | 3.5582 |
| logSw: | -4.8418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.076 |
| InChI Key: | XNEZIYQDVYZOOZ-UHFFFAOYSA-N |