1-Methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxamide

Base Information

• Chemical Name: 1-Methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
• CAS No.: 247583-72-8
• Molecular Formula: C₈H₁₂N₄O₃
• Molecular Weight: 212.208
• DSSTox Substance ID: DTXSID00452601
• Wikidata: Q82273335
• Mol file: 247583-72-8.mol

Synonyms:1-METHYL-4-NITRO-5-PROPYL-1H-PYRAZOLE-3-CARBOXAMIDE;247583-72-8;1-Methyl-4-nitro-5-propylpyrazole-3-carboxamide;SCHEMBL6443970;DTXSID00452601;FT-0671915;J-015661

Chemical Property of 1-Methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxamide

Chemical Property:

• Boiling Point: 334.6±42.0 °C(Predicted)
• PKA: 14.92±0.50(Predicted)
• PSA: 106.73000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 1.60320
• Solubility.: Dichloromethane, Dimethyl Sulfoxide, Methanol
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 212.09094026
• Heavy Atom Count: 15
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C(=NN1C)C(=O)N)[N+](=O)[O-]
• Uses: Intermediate in the preparation of Iso Viagra and pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction.

Technology Process of 1-Methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxamide

There total 5 articles about 1-Methyl-4-nitro-5-propyl-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: 92.0%

→ 4-Amino-1-methyl-5-propyl-3-pyrazolecarboxamide (247583-78-4) + 1-methyl-4-nitro-5-propyl-3-pyrazolecarboxamide (247583-72-8)

Guidance literature:

Reference yield: 86.0%

1-methyl-4-nitro-5-propyl-3-pyrazolecarboxylic acid (247583-71-7) → 1-methyl-4-nitro-5-propyl-3-pyrazolecarboxamide (247583-72-8)

Guidance literature:

1-methyl-4-nitro-5-propyl-3-pyrazolecarboxylic acid; With thionyl chloride;

With ammonium hydroxide; water; at 20 ℃; for 3h;

DOI:10.1002/jhet.5570390532

Reference yield: 37.0%

→ 1-methyl-4-nitro-5-propyl-3-pyrazolecarboxamide (247583-72-8)

Guidance literature:

upstream raw materials:

1-methyl-4-nitro-5-propyl-3-pyrazolecarboxylic acid

ethyl 3-butyrylpyruvate

1-methyl-5-propyl-1H-pyrazole-3-carboxylic acid

Downstream raw materials:

4-Amino-1-methyl-5-propyl-3-pyrazolecarboxamide

4-(2-ethoxybenzoyl)amino-1-methyl-5-propyl-3-pyrazolecarboxamide

5-(5-chlorosulfonyl-2-ethoxyphenyl)-2-methyl-3-propyl-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one

5-(2-ethoxyphenyl)-2-methyl-3-propyl-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one