1H-pyrazole-3,5-diamine

Base Information

• Chemical Name: 1H-pyrazole-3,5-diamine
• CAS No.: 16082-33-0
• Molecular Formula: C3H6N4
• Molecular Weight: 98.1074
• Hs Code.: 2933199090
• European Community (EC) Number: 886-542-6
• DSSTox Substance ID: DTXSID50430696
• Nikkaji Number: J83.311H
• Wikidata: Q72463044
• Mol file: 16082-33-0.mol

Synonyms:1H-pyrazole-3,5-diamine;16082-33-0;3,5-DIAMINO-1H-PYRAZOLE;3,5-diaminopyrazole;MFCD10697812;DTXSID50430696;KGBBJPZIDRELDP-UHFFFAOYSA-N;STL414877;AKOS005169251;AB60559;AS-57891;SY022707;5-Imino-2,5-dihydro-1H-pyrazol-3-amine;A3562;CS-0060291;FT-0723834;EN300-112127;F12619;J-504723

Chemical Property of 1H-pyrazole-3,5-diamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.771
• Boiling Point: 484.95 °C at 760 mmHg
• PKA: 16.56±0.10(Predicted)
• Flash Point: 278.849 °C
• PSA: 80.72000
• Density: 1.497 g/cm³
• LogP: 0.73650
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 98.059246208
• Heavy Atom Count: 7
• Complexity: 64

Purity/Quality:

99%, ^*data from raw suppliers

1H-Pyrazole-3,5-diamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NN=C1N)N

Technology Process of 1H-pyrazole-3,5-diamine

There total 4 articles about 1H-pyrazole-3,5-diamine 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:

Malondiimidsaeure-diethylester (26315-24-2) → 1H-pyrazole-3,5-diamine (16082-33-0)

Guidance literature:

With hydrazine; In ethanol; at 4 ℃; for 16.1667h;

Reference yield:

→ 1H-pyrazole-3,5-diamine (16082-33-0)

Guidance literature:

With barium dihydroxide;

Reference yield:

malononitrile (109-77-3) → 1H-pyrazole-3,5-diamine (16082-33-0)

Guidance literature:

With ethanol; hydrazine hydrate;

upstream raw materials:

malononitrile

Malondiimidsaeure-diethylester

Downstream raw materials:

5-nitro-1H-pyrazolo[3,4-b]pyridin-3-amine

C₁₄H₁₂N₄O₂

N-{5-[2-(2,3-difluoro-phenyl)-ethyl]-7-hydroxy-pyrazolo[1,5-a]pyrimidin-2-yl}acetamide

Refernces

• 1、 -. "HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2". Page/Page column 31. . Retrieved 2009/10/21.