1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-3-(3-nitro-1H-1,2,4-triazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-3-(3-nitro-1H-1,2,4-triazol-1-yl)propan-1-one
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-3-(3-nitro-1H-1,2,4-triazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y500-4153 |
| Compound Name: | 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-3-(3-nitro-1H-1,2,4-triazol-1-yl)propan-1-one |
| Molecular Weight: | 354.22 |
| Molecular Formula: | C10 H10 F4 N6 O4 |
| Smiles: | C(Cn1cnc(n1)[N+]([O-])=O)C(N1C(CC(C(F)F)=N1)(C(F)F)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.5401 |
| logD: | -0.5401 |
| logSw: | -0.8041 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.908 |
| InChI Key: | DESNIJCSKKQBAH-JTQLQIEISA-N |