5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide

Base Information

• Chemical Name: 5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide
• CAS No.: 101080-17-5
• Molecular Formula: C6H10 N4 O
• Molecular Weight: 154.17
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID60442982
• Wikidata: Q82260629
• Mol file: 101080-17-5.mol

Synonyms:5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide;101080-17-5;5-amino-1,3-dimethylpyrazole-4-carboxamide;1H-Pyrazole-4-carboxamide, 5-amino-1,3-dimethyl-;1H-Pyrazole-4-carboxamide,5-amino-1,3-dimethyl-(9CI);SCHEMBL2192189;DTXSID60442982;BEA08017;MFCD11111852;AKOS004121363;LD-0709;AM802832;CS-0034827;FT-0681693;J-516650

Chemical Property of 5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide

Chemical Property:

• PSA: 86.93000
• LogP: 0.69110
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.08546096
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

5-Amino-1,3-dimethyl-1H-pyrazole-4-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1C(=O)N)N)C

Technology Process of 5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide

There total 2 articles about 5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide 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: 95.0%

1,3-dimethyl-5-amino-1H-pyrazole-4-carbonitrile (54820-92-7) → 5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide (101080-17-5)

Guidance literature:

With sodium hydroxide; water; dihydrogen peroxide; In methanol; at 20 ℃; for 3h;

Reference yield:

(1-ethoxyethylidene)malononitrile (5417-82-3) → 5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide (101080-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / ethanol / 2 h / Heating

2: 80 percent / conc. H₂SO₄ / 2 h / 60 °C

With sulfuric acid; In ethanol;

DOI:10.1021/jm950812j

Reference yield:

5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide (101080-17-5) → 1-Ethyl-3-methyl-6-(2-propoxy-5-aminophenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one (168464-31-1)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / Ambient temperature

2: 1 N NaOH / ethanol / 4 h / Heating

3: H₂ / 10percent Pd/C / ethanol / Ambient temperature

With pyridine; sodium hydroxide; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm950812j

upstream raw materials:

1,3-dimethyl-5-amino-1H-pyrazole-4-carbonitrile

(1-ethoxyethylidene)malononitrile

Downstream raw materials:

1-Ethyl-3-methyl-6-(2-propoxy-5-aminophenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one

1-Ethyl-3-methyl-6-(2-propoxy 5-nitrophenyl)-1,5-dihydro-pyrazolo [3,4-d]pyrimidin-4-one

1,3-dimethyl-1,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione

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