[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanone
Chemical Structure Depiction of
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanone
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanone
Compound characteristics
| Compound ID: | Y501-7119 |
| Compound Name: | [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanone |
| Molecular Weight: | 484.16 |
| Molecular Formula: | C14 H10 Br F4 N5 O5 |
| Smiles: | C1C(C(F)F)=NN(C(c2ccc(Cn3cc(c(n3)[N+]([O-])=O)[Br])o2)=O)C1(C(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.452 |
| logD: | 1.4519 |
| logSw: | -1.91 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.227 |
| InChI Key: | VNIFWYOCOGPMAJ-AWEZNQCLSA-N |