1H-Pyrazol-5-amine, 1-ethyl-3-methyl-N-phenyl-

Base Information

• Chemical Name: 1H-Pyrazol-5-amine, 1-ethyl-3-methyl-N-phenyl-
• CAS No.: 847453-88-7
• Molecular Formula: C₁₂H₁₅N₃
• Molecular Weight: 201.271
• DSSTox Substance ID: DTXSID30368226
• Wikidata: Q82154614
• ChEMBL ID: CHEMBL1438711
• Mol file: 847453-88-7.mol

Synonyms:1H-Pyrazol-5-amine, 1-ethyl-3-methyl-N-phenyl-;847453-88-7;HMS1403G19;Enamine_003319;MLS000564355;SCHEMBL6566481;CHEMBL1438711;DTXSID30368226;HMS2419H22;AKOS034459895;SMR000151950;1-ethyl-3-methyl-N-phenyl-1H-pyrazol-5-amine;SR-01000034088;SR-01000034088-1;Z56839691

Chemical Property of 1H-Pyrazol-5-amine, 1-ethyl-3-methyl-N-phenyl-

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.126597491
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=CC(=N1)C)NC2=CC=CC=C2

Technology Process of 1H-Pyrazol-5-amine, 1-ethyl-3-methyl-N-phenyl-

There total 2 articles about 1H-Pyrazol-5-amine, 1-ethyl-3-methyl-N-phenyl- 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: 67.0%

ethylhydrazine (624-80-6) + 3-oxo-N-phenylbutanethioamide (10374-66-0) → (2-ethyl-5-methyl-2H-pyrazol-3-yl)-phenyl-amine (847453-88-7)

Guidance literature:

In isopropyl alcohol; for 0.25h; Heating;

DOI:10.1023/B:COHC.0000037311.01960.3e

Reference yield:

3-anilino-2-ethyl-1,5-dimethylpyrazolium iodide → 1,5-dimethyl-N-phenyl-1H-pyrazol-3-amine + (2-ethyl-5-methyl-2H-pyrazol-3-yl)-phenyl-amine (847453-88-7)

Guidance literature:

In diethylene glycol dimethyl ether; for 8h; Title compound not separated from byproducts; Heating;

DOI:10.1023/B:COHC.0000037311.01960.3e

Reference yield: 98.0%

methyl iodide (74-88-4) + (2-ethyl-5-methyl-2H-pyrazol-3-yl)-phenyl-amine (847453-88-7) → 3-anilino-2-ethyl-1,5-dimethylpyrazolium iodide

Guidance literature:

In acetone; for 9h; Heating;

DOI:10.1023/B:COHC.0000037311.01960.3e

upstream raw materials:

ethylhydrazine

3-oxo-N-phenylbutanethioamide