1,3-Diphenyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 1,3-Diphenyl-1H-pyrazol-5-amine
• CAS No.: 5356-71-8
• Molecular Formula: C15H13N3
• Molecular Weight: 235.288
• Hs Code.: 2933199090
• European Community (EC) Number: 622-167-4
• DSSTox Substance ID: DTXSID00201777
• Nikkaji Number: J26.555A
• Wikidata: Q69757116
• ChEMBL ID: CHEMBL2236256
• Mol file: 5356-71-8.mol

Synonyms:1,3-Diphenyl-1H-pyrazol-5-amine;5356-71-8;5-Amino-1,3-diphenylpyrazole;2,5-diphenylpyrazol-3-amine;5-Amino-1,3-diphenyl-1H-pyrazole;1H-Pyrazol-5-amine, 1,3-diphenyl-;Pyrazole, 5-amino-1,3-diphenyl-;BRN 0181333;5-25-11-00149 (Beilstein Handbook Reference);Maybridge1_004139;CBMicro_003752;ChemDiv2_000563;Cambridge id 6041350;1,3-diphenyl-5-pyrazolamine;SCHEMBL537890;1,3-diphenyl-5-aminopyrazole;1,3-Diphenyl-5-amino pyrazole;CHEMBL2236256;HMS553E05;DTXSID00201777;HMS1370J13;SMSF0011955;STR05279;1,3-Diphenyl-1H-pyrazole-5-amine;CCG-17717;MFCD00084878;STK066924;AKOS000266003;AB03161;CB05887;1,3-Diphenyl-1H-pyrazol-5-ylamine #;BIM-0003768.P001;5-Amino-1,3-diphenyl-1H-pyrazole, 97%;LS-128017;BB 0254018;CS-0186299;EU-0073658;FT-0606708;EN300-04856;5N-080;A829665;SR-01000452220;SR-01000452220-1;Z56899070

Chemical Property of 1,3-Diphenyl-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 1.98E-08mmHg at 25°C
• Melting Point: 129-132 °C
• Refractive Index: 1.646
• Boiling Point: 454 °C at 760 mmHg
• PKA: 2.77±0.10(Predicted)
• Flash Point: 228.4 °C
• PSA: 43.84000
• Density: 1.17g/cm³
• LogP: 3.70270
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 235.110947427
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Amino-1,3-diphenyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3
• Uses: 5-Amino-1,3-diphenyl-1H-pyrazole is a reagent for the preparation of molecular switches within GIRK activator scaffold that afford selective GIRK inhibitors.

Technology Process of 1,3-Diphenyl-1H-pyrazol-5-amine

There total 20 articles about 1,3-Diphenyl-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: 94.0%

Benzoylacetonitrile (614-16-4) + phenylhydrazine (100-63-0) → 1,3-diphenyl-1H-pyrazol-5-amine (5356-71-8)

Guidance literature:

for 2h; Reflux;

DOI:10.1002/jhet.343

Reference yield: 90.0%

iodobenzene (591-50-4) + 3-phenylpyrazol-5-amine (827-41-8) → 1,3-diphenyl-1H-pyrazol-5-amine (5356-71-8)

Guidance literature:

With copper(l) iodide; potassium carbonate; trans-N,N'-dimethylcyclohexane-1,2-diamine; In toluene; at 110 ℃; for 24h;

DOI:10.1021/jo049658b

Reference yield: 88.0%

5-azido-1,3-diphenyl-1H-pyrazole → 1,3-diphenyl-1H-pyrazol-5-amine (5356-71-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 18h;

DOI:10.1021/jo902514v

upstream raw materials:

5-phenyl-3-isoxazolecarboxylic acid

phenylhydrazine

3-phenyl-3-phenylhydrazono-propionitrile

3-Phenyl-2-propynonitrile

Downstream raw materials:

C₂₀H₁₉N₃

4-(4-methylbenzylidene)-2-phenyloxazol-5-one

4-(4-methylbenzylidene)-2-phenyl-1-(1,3-diphenyl-1H-pyrazol-5-yl)-1H-imidazol-5(4H)-one

4-benzylidene-2-phenyloxazole-5(4H)-one

Refernces

• 1、 Hassan, Ghaneya S.,Georgey, Hanan H.,Mohammed, Esraa Z.,George, Riham F.,Mahmoud, Walaa R.,Omar, Farghaly A.. "Mechanistic selectivity investigation and 2D-QSAR study of some new antiproliferative pyrazoles and pyrazolopyridines as potential CDK2 inhibitors". . . Retrieved 2021/04/02.
• 2、 George, Riham F.,Georgey, Hanan H.,Hassan, Ghaneya S.,Mahmoud, Walaa R.,Mohammed, Esraa Z.,Omar, Farghaly A.. "Synthesis, in vitro anticancer activity and in silico studies of certain pyrazole-based derivatives as potential inhibitors of cyclin dependent kinases (CDKs)". . . Retrieved 2021/09/24.