Cas no 149739-51-5 (3-(1H-Pyrazol-5-yl)benzonitrile)

3-(1H-Pyrazol-5-yl)benzonitrile is a heterocyclic organic compound featuring a pyrazole ring linked to a benzonitrile moiety. This structure imparts versatility in synthetic applications, particularly as a key intermediate in pharmaceuticals, agrochemicals, and material science. The presence of both pyrazole and nitrile functional groups enhances its reactivity, enabling diverse derivatization pathways, such as cyclization or cross-coupling reactions. Its rigid aromatic framework contributes to stability, while the nitrile group offers further functionalization potential. The compound is valued for its role in constructing biologically active molecules, including kinase inhibitors and other therapeutic agents. High purity grades are available to meet rigorous research and industrial requirements.
3-(1H-Pyrazol-5-yl)benzonitrile structure
149739-51-5 structure
Product Name:3-(1H-Pyrazol-5-yl)benzonitrile
CAS No:149739-51-5
MF:C10H7N3
MW:169.182681322098
CID:98289
PubChem ID:10844854
Update Time:2025-06-07

3-(1H-Pyrazol-5-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(1H-Pyrazol-5-yl)benzonitrile
    • 3-(3-Pyrazolyl)benzonitrile
    • 3-(1H-Pyrazol-3-yl)benzonitrile
    • Benzonitrile,3-(1H-pyrazol-3-yl)-
    • 3-(2H-Pyrazol-3-yl)-benzonitrile
    • Benzonitrile, 3-(1H-pyrazol-3-yl)-
    • SCHEMBL98912
    • 149739-51-5
    • WQWOJXMJOXAWKH-UHFFFAOYSA-N
    • FT-0690079
    • 3-(1H-pyrazol-3-yl)-benzonitrile
    • EN300-70757
    • Z1138236775
    • AKOS012865146
    • DTXSID40445633
    • 3-(2H-pyrazol-3-yl)benzonitrile
    • Inchi： 1S/C10H7N3/c11-7-8-2-1-3-9(6-8)10-4-5-12-13-10/h1-6H,(H,12,13)
    • InChI Key： WQWOJXMJOXAWKH-UHFFFAOYSA-N
    • SMILES： N1C(=CC=N1)C1C=CC=C(C#N)C=1

Computed Properties

  • Exact Mass: 169.06411
  • Monoisotopic Mass: 169.063997236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 218
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 52.5?2

Experimental Properties

  • Density: 1.27±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.059 g/l) (25 o C),
  • PSA: 52.47

3-(1H-Pyrazol-5-yl)benzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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Chemenu
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eNovation Chemicals LLC
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eNovation Chemicals LLC
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abcr
AB598015-250mg
3-(1H-Pyrazol-3-yl)benzonitrile; .
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abcr
AB598015-1g
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A2B Chem LLC
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