5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2446-0033 |
| Compound Name: | 5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 287.19 |
| Molecular Formula: | C11 H8 F3 N3 O3 |
| Smiles: | CC1CC(N(c2ccc(cc2[N+]([O-])=O)C(F)(F)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0677 |
| logD: | 0.9778 |
| logSw: | -2.6152 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.719 |
| InChI Key: | HKXHVANNDMHCTP-UHFFFAOYSA-N |