4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid

Base Information

• Chemical Name: 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid
• CAS No.: 849924-98-7
• Molecular Formula: C14H10 N4 O2
• Molecular Weight: 266.25
• Hs Code.: 2933990090
• European Community (EC) Number: 674-466-4
• DSSTox Substance ID: DTXSID30375576
• Wikidata: Q82164156
• Mol file: 849924-98-7.mol

Synonyms:849924-98-7;4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid;4-(4-pyrimidin-4-ylpyrazol-1-yl)benzoic acid;4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzoic acid;4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoicacid;4-[4-(pyrimidin-4-yl)-1H-pyrazol-1-yl]benzoic acid;Peakdale1_001964;HMS523J06;SCHEMBL182016;DTXSID30375576;ZIB92498;MFCD02579383;AKOS015854434;FS-5112;CS-0326275;FT-0676989;SR-01000384314;SR-01000384314-1;4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzoicacid

Chemical Property of 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid

Chemical Property:

• Melting Point: 365～368℃(dec.)
• PSA: 80.90000
• LogP: 2.02750
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 266.08037557
• Heavy Atom Count: 20
• Complexity: 344

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)N2C=C(C=N2)C3=NC=NC=C3