3-(pyridin-4-yl)-1H-pyrazol-5-amine

Base Information

• Chemical Name: 3-(pyridin-4-yl)-1H-pyrazol-5-amine
• CAS No.: 91912-53-7
• Molecular Formula: C8H8N4
• Molecular Weight: 160.178
• Hs Code.: 2933990090
• European Community (EC) Number: 817-757-5
• DSSTox Substance ID: DTXSID30596128
• Wikidata: Q82491277
• Mol file: 91912-53-7.mol

Synonyms:91912-53-7;3-(pyridin-4-yl)-1H-pyrazol-5-amine;5-PYRIDIN-4-YL-2H-PYRAZOL-3-YLAMINE;5-pyridin-4-yl-1H-pyrazol-3-amine;5-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINE;MFCD06738752;5-(4-pyridinyl)- 1H-Pyrazol-3-amine;5-(PYRIDIN-4-YL)-1H-PYRAZOL-3-AMINE;3-Amino-5-(4-pyridyl)-1H-pyrazole;1H-Pyrazol-3-amine, 5-(4-pyridinyl)-;SCHEMBL238785;DTXSID30596128;MDRGSALNBWSYJX-UHFFFAOYSA-N;BCP26703;3-amino-5-(4-pyridyl)-2H-pyrazole;AKOS005186875;AKOS022358157;5-Pyridin-4-yl-1H-pyrazol-3-ylamine;AB27814;5-(pyridin-4-yl)-1-H-pyrazol-3-amine;BS-13663;SY184826;DB-000876;CS-0208112;EN300-55831;A15912;F31171;5-Pyridin-4-yl-2H-pyrazol-3-ylamine, AldrichCPR;Androstan-17-ol,2,3-epoxy-16-(1-pyrrolidinyl);Z381217184

Chemical Property of 3-(pyridin-4-yl)-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 192-193 °C
• Refractive Index: 1.674
• Boiling Point: 465.369 °C at 760 mmHg
• PKA: 13.12±0.10(Predicted)
• Flash Point: 266.32 °C
• PSA: 67.59000
• Density: 1.315 g/cm³
• LogP: 1.63510
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.074896272
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

5-Pyridin-4-yl-2H-pyrazol-3-ylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C2=CC(=NN2)N
• Uses: 5-?Pyridin-?4-?yl-?2H-?pyrazol-?3-?ylamine is a reagent used in the preparation of small molecule inhibitor IL-12/23 in the treatment of autoimmune and autoinflammatory diseases.

Technology Process of 3-(pyridin-4-yl)-1H-pyrazol-5-amine

There total 10 articles about 3-(pyridin-4-yl)-1H-pyrazol-5-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.0%

3-oxo-3-(pyridin-4-yl)propanenitrile (23821-37-6) → 5-pyridin-4-yl-2H-pyrazol-3-yl-amine (91912-53-7)

Guidance literature:

With hydrazine; In ethanol; for 18h; Reflux;

DOI:10.1016/j.bmcl.2009.10.074

Reference yield: 39.0%

3-oxo-3-(pyridin-4-yl)propanenitrile (23821-37-6) → 5-(pyridin-4-yl)-1H-pyrazol-3-amine (91912-53-7)

Guidance literature:

With hydrazine; In ethanol; for 2h; Heating / reflux;

Reference yield: 39.0%

→ 5-(pyridin-4-yl)-1H-pyrazol-3-amine (91912-53-7)

Guidance literature:

upstream raw materials:

N-(5-pyridin-4-yl-2H-pyrazol-3-yl)acetamide

3-oxo-3-(pyridin-4-yl)propanenitrile

isonicotinic acid ethylester

acetonitrile

Downstream raw materials:

7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

N-(3-methylbenzylidene)-N'-(7-morpholin-2-pyridin-4-yl-pyrazolo[1,5-a]pyrimidin-5-yl)hydrazine

N-(4-methoxy-3-methyl-benzylidene)-N'-(7-morpholin-4-yl-2-pyridin-4-yl-pyrazolo[1,5-a]pyrimidin-5-yl)-hydrazine

N-(3-fluoro-benzylidene)-N'-(7-morpholin-4-yl-2-pyridin-4-yl-pyrazolo[1,5-a]pyrimidin-5-yl)-hydrazine