1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
Compound ID: | Y500-3864 |
Compound Name: | 1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one |
Molecular Weight: | 331.28 |
Molecular Formula: | C12 H15 F2 N5 O4 |
Smiles: | CC1CC(C(F)F)(N(C(C(C)(C)n2cc(cn2)[N+]([O-])=O)=O)N=1)O |
Stereo: | RACEMIC MIXTURE |
logP: | 0.4238 |
logD: | 0.4238 |
logSw: | -0.8478 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 91.289 |
InChI Key: | BUAWJPULXIFIDE-LBPRGKRZSA-N |