1-propyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 1-propyl-1H-pyrazol-5-amine
• CAS No.: 3524-15-0
• Molecular Formula: C₆H₁₁N₃
• Molecular Weight: 125.173
• DSSTox Substance ID: DTXSID20360158
• Wikidata: Q82141750
• Mol file: 3524-15-0.mol

Synonyms:1-propyl-1H-pyrazol-5-amine;3524-15-0;2-Propyl-2H-pyrazol-3-ylamine;2-propylpyrazol-3-amine;5-Amino-1-propyl-1H-pyrazole;SCHEMBL2340816;2-propyl-2 h-pyrazol-3-ylamine;DTXSID20360158;AMY33142;MFCD03856630;STK350104;AKOS000141113;AT14118;BS-37550;CS-0297798;FT-0677141;EN300-37274;A874693;Z1245633132

Chemical Property of 1-propyl-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 0.0203mmHg at 25°C
• Boiling Point: 251.6°C at 760 mmHg
• PKA: 4.18±0.10(Predicted)
• Flash Point: 106°C
• PSA: 43.84000
• Density: 1.11g/cm³
• LogP: 1.45650
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 125.095297364
• Heavy Atom Count: 9
• Complexity: 84.4

Purity/Quality:

97% ^*data from raw suppliers

1-Propyl-1H-pyrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C(=CC=N1)N

Technology Process of 1-propyl-1H-pyrazol-5-amine

There total 2 articles about 1-propyl-1H-pyrazol-5-amine 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:

(E)-3-(2-propylidenehydrazinyl)propanenitrile → 1-propyl-1H-pyrazol-5-amine (3524-15-0)

Guidance literature:

With sodium methylate; In propan-1-ol; Reflux;

Reference yield:

→ 1-propyl-1H-pyrazol-5-amine (3524-15-0)

Guidance literature:

Hydrazon aus Propionaldehyd, Hydrazin, CH2=CHCN u. bas. Kat.;

Reference yield:

1-propyl-1H-pyrazol-5-amine (3524-15-0) → 6-methyl-1-propyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 5 h / Reflux

2: potassium hydroxide / isopropyl alcohol / 20 °C / Inert atmosphere

With acetic acid; potassium hydroxide; In isopropyl alcohol;

DOI:10.1021/acs.jmedchem.1c00758

Downstream raw materials:

6-cyclopropyl-1-propyl-1-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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