{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Compound characteristics
| Compound ID: | Y502-8973 |
| Compound Name: | {5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone |
| Molecular Weight: | 401.3 |
| Molecular Formula: | C15 H14 F3 N5 O5 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(N3C(CC=N3)(C(F)(F)F)O)=O)o2)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0638 |
| logD: | 1.0638 |
| logSw: | -2.1664 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.246 |
| InChI Key: | MRKPHNLHQWCPTG-AWEZNQCLSA-N |