1,3-Dimethyl-1H-pyrazole-5-carboxamide

Base Information

• Chemical Name: 1,3-Dimethyl-1H-pyrazole-5-carboxamide
• CAS No.: 136678-93-8
• Molecular Formula: C₆H₉N₃O
• Molecular Weight: 139.157
• Hs Code.: 29331990
• DSSTox Substance ID: DTXSID10371258
• Nikkaji Number: J529.746J
• Wikidata: Q72471745
• Mol file: 136678-93-8.mol

Synonyms:1,3-Dimethyl-1H-pyrazole-5-carboxamide;136678-93-8;1,3-dimethylpyrazole-5-carboxamide;2,5-dimethylpyrazole-3-carboxamide;1,3-Dimethyl-5-pyrazolecarboxamide;MFCD00833259;1H-Pyrazole-5-carboxamide, 1,3-dimethyl-;SCHEMBL2338097;DTXSID10371258;RKOPPJWNONMZGZ-UHFFFAOYSA-N;AMY32915;TD8060;AKOS006222511;PS-3155;AC-28101;SY021638;CS-0096276;FT-0606681;2,5-dimethyl-2h-pyrazole-3-carboxylic acid amide;A807109;J-503918

Chemical Property of 1,3-Dimethyl-1H-pyrazole-5-carboxamide

Chemical Property:

• Vapor Pressure: 0.0023mmHg at 25°C
• Melting Point: 164 °C
• Refractive Index: 1.6
• Boiling Point: 288.7 °C at 760 mmHg
• PKA: 15.55±0.50(Predicted)
• Flash Point: 128.4 °C
• PSA: 60.91000
• Density: 1.28 g/cm³
• LogP: 0.52770
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.074561919
• Heavy Atom Count: 10
• Complexity: 148

Purity/Quality:

98% ^*data from raw suppliers

1,3-dimethyl-1h-pyrazole-5-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)C(=O)N)C

Technology Process of 1,3-Dimethyl-1H-pyrazole-5-carboxamide

There total 5 articles about 1,3-Dimethyl-1H-pyrazole-5-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: 77.0%

ethyl 1,3-dimethylpyrazole-5-carboxylate (5744-40-1) → 1,3-dimethyl-1H-pyrazole-5-carboxamide (136678-93-8)

Guidance literature:

With ammonia; In water; at 20 ℃; for 16.5h;

Reference yield: 69.0%

1,3-dimethylpyrazol-5-carboxylic acid (5744-56-9) → 1,3-dimethyl-1H-pyrazole-5-carboxamide (136678-93-8)

Guidance literature:

With dmap; ammonium chloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield:

ethyl 2-hydroxy-4-oxopent-2-enoate sodium salt → 1,3-dimethyl-1H-pyrazole-5-carboxamide (136678-93-8)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid; hydrazine hydrate / 3 h / 10 - 35 °C

2: sodium hydrogencarbonate / dichloromethane / 5 h / Reflux

3: ammonium hydroxide; ammonium bicarbonate / methanol / 24 h / 20 °C

With ammonium hydroxide; hydrazine hydrate; sodium hydrogencarbonate; ammonium bicarbonate; acetic acid; In methanol; dichloromethane;

upstream raw materials:

ethyl 1,3-dimethylpyrazole-5-carboxylate

ethyl 5-methyl-2H-pyrazole-3-carboxylate

1,3-dimethylpyrazol-5-carboxylic acid

Downstream raw materials:

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

1-methyl-3-[(methylamino)methyl]-1H-pyrazole-5-carbonitrile