5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
• CAS No.: 5334-43-0
• Molecular Formula: C10H8N4
• Molecular Weight: 184.2
• Hs Code.: 29331990
• European Community (EC) Number: 226-253-9
• NSC Number: 1414
• UNII: 65KX32U6WT
• DSSTox Substance ID: DTXSID20201491
• Nikkaji Number: J217.894J
• Wikidata: Q72440885
• ChEMBL ID: CHEMBL1489423
• Mol file: 5334-43-0.mol

Synonyms:5334-43-0;5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile;5-Amino-1-phenylpyrazole-4-carbonitrile;5-Amino-4-cyano-1-phenylpyrazole;1-Phenyl-4-cyano-5-aminopyrazole;1H-Pyrazole-4-carbonitrile, 5-amino-1-phenyl-;5-amino-4-cyano-1-phenyl-1h-pyrazole;5-amino-1-phenyl-4-pyrazolecarbonitrile;MFCD00020730;65KX32U6WT;5-AMINO-1-PHENYLPYRAZOLE-3-CARBONITRILE;NSC-1414;EINECS 226-253-9;5-amino-1-phenylpyrazolo-4-carbonitrile;NSC1414;Enamine_001890;UNII-65KX32U6WT;SCHEMBL60939;MLS000055483;CHEMBL1489423;DTXSID20201491;CHEBI:183670;HMS1399F20;HMS2497K24;AMY11953;NSC 1414;5-Amino-4-cyano-1-phenyl pyrazole;BBL012130;CCG-55702;STK347618;AKOS000260233;CS-W002125;DS-2795;FS-1119;MB-3670;AC-29406;SMR000065990;SY024467;5-amino-1-phenyl-1H-pyrazol-4-yl cyanide;A7772;FT-0620002;EN300-11468;5-Amino-1-phenylpyrazole-4-carbonitrile, 96%;5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile #;SR-01000396951;SR-01000396951-1;SR-01000396951-2;W-105746;Z55410284;2-ACETYLAMINO-3-(2,4-DIFLUOROPHENYL)ACRYLICACID;F0125-1796

Chemical Property of 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile

Chemical Property:

• Appearance/Colour: Off-White Powder
• Vapor Pressure: 1.13E-06mmHg at 25°C
• Melting Point: 132-137 °C(lit.)
• Refractive Index: 1.669
• Boiling Point: 402 °C at 760 mmHg
• PKA: -1.12±0.10(Predicted)
• Flash Point: 196.9 °C
• PSA: 67.63000
• Density: 1.26 g/cm³
• LogP: 1.90738
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 184.074896272
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

5-Amino-1-phenylpyrazolo-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XnXi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=C(C=N2)C#N)N
• Uses: Shown to have chemiluminescence activity, antifilarial activity and to possess adenosine receptor affinity.

Technology Process of 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile

There total 13 articles about 5-Amino-1-phenyl-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: 100.0%

3-amino-3-(o-aminoanilino)-2-cyano-2-propenal phenylhydrazone (106157-75-9) → benzoimidazole (51-17-2,79351-71-6) + 5-Amino-4-cyano-1-phenylpyrazole (5334-43-0)

Guidance literature:

With orthoformic acid triethyl ester; In butan-1-ol; for 4h; Heating;

Reference yield: 100.0%

3-amino-3-(o-aminoanilino)-2-cyano-2-propenal phenylhydrazone (106157-75-9) + orthoformic acid triethyl ester (122-51-0) → benzoimidazole (51-17-2,79351-71-6) + 5-Amino-4-cyano-1-phenylpyrazole (5334-43-0)

Guidance literature:

In butan-1-ol; for 4h; Heating;

Reference yield: 100.0%

2-Amino-3-(2-ethylbenzimidazol-1-yl)-2-(2-phenyl-1,1-diazanediylmethyl)-2-propenenitrile (106157-80-6,106157-81-7) → 2-ethylbenzimidazole (1848-84-6) + 5-Amino-4-cyano-1-phenylpyrazole (5334-43-0)

Guidance literature:

In N,N-dimethyl-formamide; for 2.5h;

upstream raw materials:

phenylhydrazine

Ethoxymethylenemalononitrile

3-amino-3-(o-aminoanilino)-2-cyano-2-propenal phenylhydrazone

2-Amino-3-(2-ethylbenzimidazol-1-yl)-2-(2-phenyl-1,1-diazanediylmethyl)-2-propenenitrile

Downstream raw materials:

N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)acetamide

1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

5-amino-1-phenyl-1H-pyrazole-4-carboxamide

4-Cyano-1-phenyl-5-(1-pyrryl)pyrazole

Refernces

• 1、 Atatreh, Noor,Youssef, Amal M.,Ghattas, Mohammad A.,Al Sorkhy, Mohammad,Alrawashdeh, Sara,Al-Harbi, Khaled B.,El-Ashmawy, Ibrahim M.,Almundarij, Tariq I.,Abdelghani, Amani A.,Abd-El-Aziz, Alaa S.. "Anti-inflammatory drug approach: Synthesis and biological evaluation of novel pyrazolo[3,4-d]pyrimidine compounds". . p. 393 - 400. Retrieved 2019.
• 2、 -. "COMBINATION THERAPY FOR TREATING MPS1". Paragraph 0311-0314. . Retrieved 2021/08/14.
• 3、 Gupta, Sampa,Kant, Ruchir,Pandey, Shubham,Rai, Amit Kumar,Sashidhara, Koneni V.,Singh, L. Ravithej,Tamrakar, Akhilesh K.. "Microwave-assisted efficient synthesis of pyrazole-fibrate derivatives as stimulators of glucose uptake in skeletal muscle cells". . . Retrieved 2021/01/12.