3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl 4-(trifluoromethyl)benzoate
Chemical Structure Depiction of
3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl 4-(trifluoromethyl)benzoate
3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl 4-(trifluoromethyl)benzoate
Compound characteristics
| Compound ID: | V011-5699 |
| Compound Name: | 3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl 4-(trifluoromethyl)benzoate |
| Molecular Weight: | 433.39 |
| Molecular Formula: | C21 H18 F3 N3 O4 |
| Smiles: | CC(C)(C)c1cc(n(c2ccc(cc2)[N+]([O-])=O)n1)OC(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7946 |
| logD: | 5.7946 |
| logSw: | -5.589 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.492 |
| InChI Key: | WYZPDUPQSHRRBQ-UHFFFAOYSA-N |