Pyrazole-5-carboxamide, 4-amino-N-benzyl-3-methyl-

Base Information

• Chemical Name: Pyrazole-5-carboxamide, 4-amino-N-benzyl-3-methyl-
• CAS No.: 80030-85-9
• Molecular Formula: C12H14N4O
• Molecular Weight: 230.2658
• DSSTox Substance ID: DTXSID30230030
• Wikidata: Q83110419

Synonyms:BRN 4456005;Pyrazole-5-carboxamide, 4-amino-N-benzyl-3-methyl-;4-Amino-N-benzyl-3-methylpyrazole-5-carboxamide;80030-85-9;1H-Pyrazole-3-carboxamide, 4-amino-5-methyl-N-(phenylmethyl)-;DTXSID30230030;AKOS006046190;LS-128104

Chemical Property of Pyrazole-5-carboxamide, 4-amino-N-benzyl-3-methyl-

Chemical Property:

• Vapor Pressure: 3.27E-10mmHg at 25°C
• Boiling Point: 502.1°Cat760mmHg
• Flash Point: 257.5°C
• Density: 1.275g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.11676108
• Heavy Atom Count: 17
• Complexity: 265

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NN1)C(=O)NCC2=CC=CC=C2)N

Technology Process of Pyrazole-5-carboxamide, 4-amino-N-benzyl-3-methyl-

There total 3 articles about Pyrazole-5-carboxamide, 4-amino-N-benzyl-3-methyl- 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: 70.0%

5-Methyl-4-nitro-2H-pyrazole-3-carboxylic acid benzylamide (80030-79-1) → 4-Amino-5-methyl-2H-pyrazole-3-carboxylic acid benzylamide (80030-85-9)

Guidance literature:

With sodium tetrahydroborate; palladium on activated charcoal; In methanol; water; for 3h;

DOI:10.1055/s-1981-29578

Reference yield:

2,7-dimethyl-3,8-dinitrodipyrazolo[1,5-a;1',5'-d]pyrazine-4,9-dione (80030-73-5) → 4-Amino-5-methyl-2H-pyrazole-3-carboxylic acid benzylamide (80030-85-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / CHCl₃ / Ambient temperature

2: 70 percent / NaBH₄ / 10percent Pd/C / methanol; H₂O / 3 h

With sodium tetrahydroborate; palladium on activated charcoal; In methanol; chloroform; water;

DOI:10.1055/s-1981-29578

Reference yield:

benzylamine (100-46-9) → 4-Amino-5-methyl-2H-pyrazole-3-carboxylic acid benzylamide (80030-85-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / CHCl₃ / Ambient temperature

2: 70 percent / NaBH₄ / 10percent Pd/C / methanol; H₂O / 3 h

With sodium tetrahydroborate; palladium on activated charcoal; In methanol; chloroform; water;

DOI:10.1055/s-1981-29578

upstream raw materials:

5-Methyl-4-nitro-2H-pyrazole-3-carboxylic acid benzylamide

2,7-dimethyl-3,8-dinitrodipyrazolo[1,5-a;1',5'-d]pyrazine-4,9-dione

benzylamine

Downstream raw materials:

C₃₈H₃₁N₅O₈

3-Benzyl-5-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7-methyl-3,5-dihydro-pyrazolo[4,3-d][1,2,3]triazin-4-one

6-Benzyl-3-methyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one

3-Benzyl-7-methyl-3,5-dihydro-pyrazolo[4,3-d][1,2,3]triazin-4-one

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