1-Phenyl-1H-pyrazol-3-amine

To a solution of 1-phenyl-3-amino-pyrazoline(7.4 g, 46 mmol) in dioxane (200 mL) was added 2, 3-dichloro-5, 6-dicyano-1, 4-benzoquinone (11.54 g, 50 mmol). After addition, the reaction was stirred at RT for 1 hour, then the resulting dark solution was filtered through a pad of Celite. The filtrate was acidified with 1N aqueous HCl (100 mL) and extracted with CHTo a solution of 1-phenyl-4, 5-dihydro-1H-pyrazol-3-ylamine (50.0 g) in N, N-dimethylformamide (150 ml) and 1, 4-dioxane (500 ml) was added 3, 4, 5, 6-tetrachloro-1, 4-benzoquinone (84.0 g) under ice-cooling over 20 minutes, and the mixture was stirred at room temperature for 4.5 hours. 1 -phenyl- 1 H -pyrazol-3-amine 3-Amino-pyrazole (1 .0 g, 12.03 mmol), Cs3.6 Potassium te/ -butoxide (1 1 .9 g, 106.3 mmol) was dissolved in tBuOH (1 OOmL) and the solution was heated to 100 °C. Phenyl hydrazine (5 g, 46.2 mmol) and 3-ethoxy acrylonitrile (4.5 g, 46.2 mmol) were sequentially added and heating continued for 16 h. The mixture was concentrated in vacuo. The residue obtained was partitioned between water (500 mL) and ethyl acetate (500 mL). The organic extract was washed with water (250 mL), brine (250 mL), dried (Na

Molecular Weight:159.19
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:159.079647300
Monoisotopic Mass:159.079647300
Topological Polar Surface Area:43.8
Heavy Atom Count:12
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes