5-(Pyridin-3-YL)-1H-pyrazole-3-carboxamide

Base Information

• Chemical Name: 5-(Pyridin-3-YL)-1H-pyrazole-3-carboxamide
• CAS No.: 287494-01-3
• Molecular Formula: C9H8N4O
• Molecular Weight: 188.18602
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40589561
• Nikkaji Number: J1.341.960D
• Wikidata: Q82483007
• Mol file: 287494-01-3.mol

Synonyms:5-(PYRIDIN-3-YL)-1H-PYRAZOLE-3-CARBOXAMIDE;287494-01-3;3-pyridin-3-yl-1H-pyrazole-5-carboxamide;3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide;5-(3-pyridinyl)-1H-Pyrazole-3-carboxamide;SCHEMBL2851890;DTXSID40589561;AKOS003355543;AKOS026720907;AS-78633;DB-067980;CS-0333354;5-(pyridin-3-yl)-2H-pyrazole-3-carboxamide;F87272;5-(Pyridin-3-yl)-1H-pyrazole-3-carboxamide ,97%;F2198-0464

Chemical Property of 5-(Pyridin-3-YL)-1H-pyrazole-3-carboxamide

Chemical Property:

• PSA: 84.66000
• LogP: 1.27090
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.06981089
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

5-(Pyridin-3-yl)-1H-pyrazole-3-carboxamide ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C2=NNC(=C2)C(=O)N

Technology Process of 5-(Pyridin-3-YL)-1H-pyrazole-3-carboxamide

There total 3 articles about 5-(Pyridin-3-YL)-1H-pyrazole-3-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%

ethyl 3-(3-pyridyl)pyrazole-5-carboxylate (251658-58-9) → 5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide (287494-01-3)

Guidance literature:

With ammonium hydroxide; at 20 ℃; for 35h;

DOI:10.1016/S0960-894X(00)00203-1

Reference yield:

methyl-3-pyridylketone (350-03-8) → 5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide (287494-01-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 84 percent / EtONa / 13 h / 78 °C

2: 83 percent / NH₂NH₂*H₂O; AcOH / 7 h / 105 °C

3: 95 percent / aq. NH₃ / 35 h / 20 °C

With ammonium hydroxide; sodium ethanolate; hydrazine hydrate; acetic acid; 1: Claisen condensation / 2: cyclocondensation / 3: ammonolysis;

DOI:10.1016/S0960-894X(00)00203-1

Reference yield:

Sodium; (Z)-1-ethoxycarbonyl-3-oxo-3-pyridin-3-yl-propen-1-olate → 5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide (287494-01-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / NH₂NH₂*H₂O; AcOH / 7 h / 105 °C

2: 95 percent / aq. NH₃ / 35 h / 20 °C

With ammonium hydroxide; hydrazine hydrate; acetic acid; 1: cyclocondensation / 2: ammonolysis;

DOI:10.1016/S0960-894X(00)00203-1

upstream raw materials:

ethyl 3-(3-pyridyl)pyrazole-5-carboxylate

methyl-3-pyridylketone