1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethan-1-one
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y501-7674 |
| Compound Name: | 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 351.24 |
| Molecular Formula: | C11 H12 F3 N5 O5 |
| Smiles: | CC1CC(C(F)(F)F)(N(C(Cn2cc(c(n2)OC)[N+]([O-])=O)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5086 |
| logD: | 0.5086 |
| logSw: | -0.8596 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.371 |
| InChI Key: | ZJFHLLAXIBIYSQ-JTQLQIEISA-N |