5-amino-1H-pyrazole-1-carboxamide

Base Information

• Chemical Name: 5-amino-1H-pyrazole-1-carboxamide
• CAS No.: 77668-01-0
• Molecular Formula: C4H6N4O
• Molecular Weight: 126.1166
• NSC Number: 167062
• DSSTox Substance ID: DTXSID00304717
• Wikidata: Q82050862

Synonyms:5-amino-1H-pyrazole-1-carboxamide;77668-01-0;NSC167062;SCHEMBL865731;DTXSID00304717;VRPPZHIIDWDZNI-UHFFFAOYSA-N;AKOS006340793;NSC-167062

Chemical Property of 5-amino-1H-pyrazole-1-carboxamide

Chemical Property:

• Vapor Pressure: 2.3E-06mmHg at 25°C
• Boiling Point: 392.4°Cat760mmHg
• Flash Point: 191.1°C
• Density: 1.69g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.05416083
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N(N=C1)C(=O)N)N

Technology Process of 5-amino-1H-pyrazole-1-carboxamide

There total 3 articles about 5-amino-1H-pyrazole-1-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: 52.0%

ISOXAZOLE (288-14-2) + semicarbazide hydrochloride (563-41-7) → 5-aminopyrazole-1-carboxamide (77668-01-0)

Guidance literature:

ISOXAZOLE; With sodium ethanolate; In ethanol; at 20 ℃; for 2.5h;

semicarbazide hydrochloride; With acetic acid; In ethanol; at 95 ℃; for 2h;

DOI:10.1021/jo5000253

Reference yield:

2-(2-cyanoethenyl)-hydrazinecarboxamide → 5-aminopyrazole-1-carboxamide (77668-01-0)

Guidance literature:

With triethylamine; In ethanol; water;

Reference yield:

cyanoacetaldehyde (6162-76-1) + semicarbazide hydrochloride (563-41-7) → 5-aminopyrazole-1-carboxamide (77668-01-0)

Guidance literature:

In water; for 5h;

upstream raw materials:

cyanoacetaldehyde

semicarbazide hydrochloride

ISOXAZOLE

Downstream raw materials:

4-oxo-3H-pyrazolo<1,5-a>-1,3,5-triazine

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