3,5-diamino-1-methyl-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 3,5-diamino-1-methyl-1H-pyrazole-4-carbonitrile
• CAS No.: 65889-61-4
• Molecular Formula: C5H7N5
• Molecular Weight: 137.14300
• DSSTox Substance ID: DTXSID20504616
• Wikidata: Q82359227
• Mol file: 65889-61-4.mol

Synonyms:65889-61-4;3,5-diamino-1-methyl-1H-pyrazole-4-carbonitrile;3,5-DIAMINO-1-METHYLPYRAZOLE-4-CARBONITRILE;1H-Pyrazole-4-carbonitrile, 3,5-diamino-1-methyl-;3,5-diamino-4-cyano-1-methylpyrazole;SCHEMBL11543788;DTXSID20504616;YWNOZSUNAYFPBE-UHFFFAOYSA-N;AKOS006338569;EN300-1617742

Chemical Property of 3,5-diamino-1-methyl-1H-pyrazole-4-carbonitrile

Chemical Property:

• PSA: 94.38000
• LogP: -0.03252
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 137.07014524
• Heavy Atom Count: 10
• Complexity: 170

Purity/Quality:

98%min ^*data from raw suppliers

3,5-diamino-1-methyl-1H-Pyrazole-4-carbonitrile 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=N1)N)C#N)N

Technology Process of 3,5-diamino-1-methyl-1H-pyrazole-4-carbonitrile

There total 6 articles about 3,5-diamino-1-methyl-1H-pyrazole-4-carbonitrile 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: 80.0%

potassium tricyanomethanide (34171-69-2) + methylhydrazine (60-34-4) → 3,5-diamino-1-methyl-1H-pyrazolo-4-carbonitrile (65889-61-4)

Guidance literature:

With hydrogenchloride; In water;

Reference yield: 73.0%

2-amino-1,1-dicyano-2-methylthioethylene (18071-20-0) + methylhydrazine (60-34-4) → 3,5-diamino-1-methyl-1H-pyrazolo-4-carbonitrile (65889-61-4)

Guidance literature:

In ethanol; for 2h; Ambient temperature;

DOI:10.1016/S0040-4020(01)86083-X

Reference yield: 41.0%

N-methyl-3,5-diamino-4-ethoxycarbonylpyrazole (74440-36-1) + methylhydrazine (60-34-4) → 3,5-diamino-1-methyl-1H-pyrazolo-4-carbonitrile (65889-61-4)

Guidance literature:

In N,N-dimethyl-formamide; for 2h;

DOI:10.1002/zfch.19800200305

upstream raw materials:

2-amino-1,1-dicyano-2-methylthioethylene

methylhydrazine

N-methyl-3,5-diamino-4-ethoxycarbonylpyrazole

3,5-diamino-1H-pyrazolo-4-carbonitrile

Downstream raw materials:

10-methyl-6,8-dioxo-7-phenyl-2,4-di-1-pyrryl-1,4,7,8-tetrahydro-6H-1,4-epiimino<1,2,4>triazolo<1,2-a><1,2,3>triazine-3-carbonitrile

Refernces

• 1、 Ried, W.,Aboul-Fetouh, S.. "SYNTHESIS OF NEW SUBSTITUTED PYRAZOLOPYRIMIDINES AND PYRAZOLO1,3,5-TRIAZINES". . p. 7155 - 7162. Retrieved 2007/10/02.
• 2、 -. "Substituted pyrazolopyrimidine compounds". . . Retrieved 2008/06/13.