N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]hydrazine-1-carbothioamide
N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-5706 |
| Compound Name: | N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 496.49 |
| Molecular Formula: | C20 H20 F4 N8 O S |
| Smiles: | CC1CC(C(F)(F)F)n2c(cc(C(NNC(Nc3ccn(Cc4ccccc4F)n3)=S)=O)n2)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.276 |
| logD: | 3.2617 |
| logSw: | -3.6323 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 89.42 |
| InChI Key: | BHDIZPUNLYAANE-UHFFFAOYSA-N |