5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile Chemical Properties

Boiling point:

585.3±50.0 °C(Predicted)

Density 

1.37±0.1 g/cm3(Predicted)

refractive index 

1.699

Flash point:

307.8℃

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

DMSO (Slightly)

pka

10.83±0.50(Predicted)

InChI

InChI=1S/C16H12N4O/c17-10-14-15(19-20-16(14)18)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,(H3,18,19,20)

InChIKey

HNIMEQCLCNSCGH-UHFFFAOYSA-N

SMILES

N1C(C2=CC=C(OC3=CC=CC=C3)C=C2)=C(C#N)C(N)=N1

LogP

3.25298

5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile Usage And Synthesis

Chemical Properties

Light yellow to off-white powder.

Uses

3-Amino-4-cyano-5-(4-phenoxyphenyl)pyrazole has been used as a reactant in the preparation of ring-fused pyrazole derivatives to be used a inhibitors of lymphocyte-specific kinase (Lck)

Application

5-amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile is an intermediate of Ibrutinib (PCI-32765). it is a heterocyclic intermediate that typically used in the preparation of ACP-196, a selective second-generation BTK inhibitor.

5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile(330792-70-6)Related Product Information

• Vandetanib
• Vardenafil hydrochloride
• tert-butyl 4-(3-cyano-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
• Propanedinitrile, 2-[hydroxy(4-phenoxyphenyl)Methylene]-
• 1-Piperidinecarboxylic acid, 4-[3-(dimethylamino)-1-oxo-2-propen-1-yl]-, 1,1-dim
• (1R,3R)-Methyl-1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
• ent-Tadalafil
• cis-ent-Tadalafil
• cis-Tadalafil
• (S)-1-Boc-3-hydroxypiperidine
• Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-
• Chloropretadalafil
• Trelagliptin succinate
• Tadalafil
• (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
• 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine
• 3-(4-Phenoxy-phenyl)-1-piperidin-3-yl-1H-pyrazolo[3,4-d]pyriMidin-4-ylaMine
• (R)-1-Boc-3-Hydroxypiperidine