5-amino-1-isopropyl-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 5-amino-1-isopropyl-1H-pyrazole-4-carbonitrile
• CAS No.: 21254-23-9
• Molecular Formula: C₇H₁₀N₄
• Molecular Weight: 150.183
• DSSTox Substance ID: DTXSID30591774
• Wikidata: Q82485639
• Mol file: 21254-23-9.mol

Synonyms:5-amino-1-isopropyl-1H-pyrazole-4-carbonitrile;21254-23-9;5-amino-1-propan-2-ylpyrazole-4-carbonitrile;1H-Pyrazole-4-carbonitrile,5-amino-1-(1-methylethyl)-(9CI);C7H10N4;5-Amino-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile;5-AMINO-1-ISOPROPYLPYRAZOLE-4-CARBONITRILE;SCHEMBL55228;DTXSID30591774;HWLUYAARRNLXJL-UHFFFAOYSA-N;WAA25423;AKOS010517254;AS-41815;DB-066462;CS-0274453;EN300-1260353;A815222;A1-28901

Chemical Property of 5-amino-1-isopropyl-1H-pyrazole-4-carbonitrile

Chemical Property:

• PSA: 67.63000
• LogP: 1.49908
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 150.090546336
• Heavy Atom Count: 11
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

5-Amino-1-isopropyl-1H-pyrazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C(=C(C=N1)C#N)N

Technology Process of 5-amino-1-isopropyl-1H-pyrazole-4-carbonitrile

There total 4 articles about 5-amino-1-isopropyl-1H-pyrazole-4-carbonitrile 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: 90.0%

isopropyl hydrazine hydrochloride salt + Ethoxymethylenemalononitrile (123-06-8) → 5-Amino-4-cyan-1-isopropyl-pyrazol (21254-23-9)

Guidance literature:

isopropyl hydrazine hydrochloride salt; With triethylamine; In ethanol; for 1h; Cooling with ice;

Ethoxymethylenemalononitrile; In ethanol; at 20 ℃; for 21.5h; Reflux;

Reference yield: 81.0%

isopropylhydrazine hydrochloride (70629-60-6,73941-11-4,16726-41-3) + Ethoxymethylenemalononitrile (123-06-8) → 5-Amino-4-cyan-1-isopropyl-pyrazol (21254-23-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; at 20 ℃;

Reference yield: 43.4%

→ 5-Amino-4-cyan-1-isopropyl-pyrazol (21254-23-9)

Guidance literature:

With triethylamine; In ethanol; for 3h; Reflux;

With water;

upstream raw materials:

N-isopropylhydrazine

Ethoxymethylenemalononitrile

isopropylhydrazine hydrochloride

Downstream raw materials:

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide

1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

4,6-dichloro-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidine