[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{1-[(2-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
Chemical Structure Depiction of
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{1-[(2-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{1-[(2-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
Compound characteristics
| Compound ID: | Y502-5461 |
| Compound Name: | [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{1-[(2-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone |
| Molecular Weight: | 431.3 |
| Molecular Formula: | C16 H13 F4 N5 O5 |
| Smiles: | C1C(C(F)F)=NN(C(c2ccn(COc3ccccc3[N+]([O-])=O)n2)=O)C1(C(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3834 |
| logD: | 1.3834 |
| logSw: | -1.75 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.32 |
| InChI Key: | QFWZALJANXGKRD-INIZCTEOSA-N |