5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide

Base Information

• Chemical Name: 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
• CAS No.: 50427-81-1
• Molecular Formula: C11H12N4O
• Molecular Weight: 216.242
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID60578750
• Nikkaji Number: J2.309.823G
• Wikidata: Q82469069
• Mol file: 50427-81-1.mol

Synonyms:5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide;50427-81-1;1H-Pyrazole-4-carboxamide, 5-amino-3-methyl-1-phenyl-;SCHEMBL2546507;5-AMINO-3-METHYL-1-PHENYLPYRAZOLE-4-CARBOXAMIDE;DTXSID60578750;MUCXQQXKBTVCRB-UHFFFAOYSA-N;MFCD12547001;AKOS005256538;F70644

Chemical Property of 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide

Chemical Property:

• PSA: 87.92000
• LogP: 2.32720
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.10111102
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1C(=O)N)N)C2=CC=CC=C2

Technology Process of 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide

There total 6 articles about 5-amino-3-methyl-1-phenyl-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:

5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile (5346-56-5) → 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid amide (50427-81-1)

Guidance literature:

5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile; With sulfuric acid; at 10 - 20 ℃;

With water; Cooling with ice;

With potassium carbonate; pH=8 - 9;

Reference yield:

(1-ethoxyethylidene)malononitrile (5417-82-3) → 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid amide (50427-81-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ethanol / 20 °C / Reflux

2.1: sulfuric acid / 10 - 20 °C

2.2: Cooling with ice

2.3: pH 8 - 9

With sulfuric acid; In ethanol;

Reference yield:

phenylhydrazine (100-63-0) → 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid amide (50427-81-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 4 h / Reflux

2: sulfuric acid / 10 - 20 °C

With sulfuric acid; In ethanol;

DOI:10.1080/00397911.2018.1459720

upstream raw materials:

α-cyano-β-dimethylaminocrotonamide

phenylhydrazine

(1-ethoxyethylidene)malononitrile

5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile

Downstream raw materials:

3,6-dimethyl-1-phenyl-1,5-dihydro-4H-pyrazolo-[3,4-d]pyrimidin-4-one

6-(4-chlorophenyl)-3-methyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

6-(4-bromophenyl)-3-methyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

6-ethyl-3-methyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one