{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Compound characteristics
| Compound ID: | Y501-8351 |
| Compound Name: | {4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone |
| Molecular Weight: | 425.37 |
| Molecular Formula: | C18 H18 F3 N5 O4 |
| Smiles: | CC1CC(C(F)(F)F)(N(C(c2ccc(Cn3c(C)c(c(C)n3)[N+]([O-])=O)cc2)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9968 |
| logD: | 1.9968 |
| logSw: | -2.3054 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.024 |
| InChI Key: | RRFNBODQRSSBGR-KRWDZBQOSA-N |