(5-Amino-1-phenyl-1H-pyrazol-4-YL)(phenyl)methanone

Base Information

• Chemical Name: (5-Amino-1-phenyl-1H-pyrazol-4-YL)(phenyl)methanone
• CAS No.: 54606-37-0
• Molecular Formula: C₁₆H₁₃N₃O
• Molecular Weight: 263.299
• UNII: U479A4Y3YR
• ChEMBL ID: CHEMBL203333
• Nikkaji Number: J843.928A
• Mol file: 54606-37-0.mol

Synonyms:54606-37-0;(5-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)(PHENYL)METHANONE;(5-amino-1-phenyl-1H-pyrazol-4-yl)phenylmethanone;(5-Amino-1-phenyl-1H-pyrazol-4-yl)phenyl methanone;4-benzoyl-5-aminopyrazole 1;CHEMBL203333;U479A4Y3YR;SCHEMBL13662120;BDBM15714;5-amino-4-benzoyl-1-phenylpyrazole;MFCD08445822;4-benzoyl-1-phenyl-1H-pyrazol-5-amine;PD178092;(5-amino-1-phenylpyrazol-4-yl)-phenylmethanone;(5-Azanyl-1-phenyl-pyrazol-4-yl)-phenyl-methanone;Methanone, (5-amino-1-phenyl-1H-pyrazol-4-yl)phenyl-;(5-Amino-1-phenyl-1H-pyrazol-4-yl)(phenyl)methanone, AldrichCPR

Chemical Property of (5-Amino-1-phenyl-1H-pyrazol-4-YL)(phenyl)methanone

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 263.105862047
• Heavy Atom Count: 20
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N

Technology Process of (5-Amino-1-phenyl-1H-pyrazol-4-YL)(phenyl)methanone

There total 8 articles about (5-Amino-1-phenyl-1H-pyrazol-4-YL)(phenyl)methanone 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: 95.0%

3-Anilino-2-benzoyl-propennitril (6123-64-4) + phenylhydrazine hydrochloride (59-88-1) → (5-amino-1-phenyl-1H-pyrazol-4-yl)-phenyl-methanone (54606-37-0)

Guidance literature:

With triethylamine; In ethanol; at 100 ℃; for 1h; Microwave irradiation;

DOI:10.1016/j.bmcl.2008.05.037

Reference yield: 74.0%

2-benzoyl-3-(dimethylamino)-2-propenenitrile (52200-09-6) + phenylhydrazine (100-63-0) → (5-amino-1-phenyl-1H-pyrazol-4-yl)-phenyl-methanone (54606-37-0)

Guidance literature:

With hydrogenchloride; In ethanol; for 1h; Heating;

DOI:10.1007/PL00010132

Reference yield:

Benzoylacetonitrile (614-16-4) → (5-amino-1-phenyl-1H-pyrazol-4-yl)-phenyl-methanone (54606-37-0)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene / 2 h / Heating

2: 4.75 g / ethanol / 3 h / Heating

In ethanol; xylene;

DOI:10.1021/jm050736c

upstream raw materials:

ethanol

3-Anilino-2-benzoyl-propennitril

phenylhydrazine

1-phenyl-2-cyano-3-dimethylaminopropen-1-one

Downstream raw materials:

(5-bromo-1-phenyl-1H-pyrazol-4-yl)phenylmethanone