[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone
Chemical Structure Depiction of
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | Y501-7138 |
| Compound Name: | [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone |
| Molecular Weight: | 494.2 |
| Molecular Formula: | C16 H12 Br F4 N5 O4 |
| Smiles: | C1C(C(F)F)=NN(C(c2cccc(Cn3cc(c(n3)[N+]([O-])=O)[Br])c2)=O)C1(C(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7326 |
| logD: | 1.7326 |
| logSw: | -1.9852 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.386 |
| InChI Key: | SOQSMWBBFCZZBU-INIZCTEOSA-N |