5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

Base Information

• Chemical Name: 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
• CAS No.: 51516-69-9
• Molecular Formula: C10H9FN4O
• Molecular Weight: 220.206
• Hs Code.: 2933199090
• European Community (EC) Number: 820-848-2
• DSSTox Substance ID: DTXSID70369439
• Nikkaji Number: J2.548.295F
• Wikidata: Q82156515
• Mol file: 51516-69-9.mol

Synonyms:5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;51516-69-9;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;2-(4-fluorophenyl)-3-imino-2,3-dihydro-1H-pyrazole-4-carboxamide;HMS559G08;Maybridge1_006300;SCHEMBL3830233;DTXSID70369439;AXZGQTXCRLLNIN-UHFFFAOYSA-N;AM9866;CYTIDYLYL-(3->5)-GUANOSINE;AKOS000674779;AKOS027196677;CS-0306275;EN300-25477;BRD-K14494356-001-01-2;Z55410605;1-(4-Fluorophenyl)-5-amino-1H-pyrazole-4-carboxamide;F2158-2342;5-Amino-1-(4-fluoro-phenyl)-1H-pyrazole-4-carboxylic acid amide;1940421-82-8

Chemical Property of 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

Chemical Property:

• Vapor Pressure: 3.92E-07mmHg at 25°C
• Refractive Index: 1.679
• Boiling Point: 416.1°Cat760mmHg
• PKA: 14.95±0.50(Predicted)
• Flash Point: 205.4°C
• PSA: 87.92000
• Density: 1.5g/cm³
• LogP: 2.15790
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.07603909
• Heavy Atom Count: 16
• Complexity: 268

Purity/Quality:

97% ^*data from raw suppliers

5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C(=C(C=N2)C(=O)N)N)F

Technology Process of 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

There total 3 articles about 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide 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: 75.0%

5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile (51516-70-2) → 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (51516-69-9)

Guidance literature:

With sulfuric acid; at 0 - 20 ℃; for 3h;

DOI:10.1016/j.ejmech.2020.112279

Reference yield:

4-fluorophenylhydrazine (371-14-2) → 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (51516-69-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 6 h / Reflux

2: sulfuric acid / toluene / 3 h / 60 °C

With sulfuric acid; In ethanol; toluene;

DOI:10.1016/j.bmcl.2020.127760

Reference yield:

→ 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (51516-69-9)

Guidance literature:

entspr. Nitril, NaOH;

upstream raw materials:

5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

4-fluorophenylhydrazine

Downstream raw materials:

1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol

1-benzyl-5-(2,2-diethoxyethyl)-1H-pyrazolo-[3,4-d]pyrimidin-4(5H)-one