Cas no 143426-55-5 (2-4-(1H-pyrazol-1-yl)phenylacetonitrile)

2-4-(1H-pyrazol-1-yl)phenylacetonitrile is a versatile heterocyclic compound featuring a pyrazole moiety linked to a phenylacetonitrile group. This structure imparts significant utility in pharmaceutical and agrochemical research, particularly as a key intermediate in the synthesis of biologically active molecules. Its nitrile functionality offers reactivity for further derivatization, enabling the formation of amides, acids, or heterocycles. The pyrazole ring enhances binding affinity in target interactions, making it valuable for drug discovery. The compound exhibits stability under standard handling conditions and is compatible with a range of synthetic transformations. Its well-defined chemical properties ensure reproducibility in research applications, supporting its use in medicinal chemistry and material science.
2-4-(1H-pyrazol-1-yl)phenylacetonitrile structure
143426-55-5 structure
Product Name:2-4-(1H-pyrazol-1-yl)phenylacetonitrile
CAS No:143426-55-5
MF:C11H9N3
MW:183.209261655807
MDL:MFCD08691146
CID:108346
PubChem ID:16227429
Update Time:2025-06-08

2-4-(1H-pyrazol-1-yl)phenylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile,4-(1H-pyrazol-1-yl)-
    • 2-(4-pyrazol-1-ylphenyl)acetonitrile
    • 4-(1H-PYRAZOL-1-YL)PHENYL]ACETONITRILE
    • [4-(1H-pyrazol-1-yl)phenyl]acetonitrile
    • AC1Q4S11
    • CTK8E2943
    • EN300-25931
    • MolPort-002-471-616
    • T5662381
    • 2-4-(1H-pyrazol-1-yl)phenylacetonitrile
    • Z220327460
    • DTXSID90585412
    • 143426-55-5
    • 2-(4-(1H-Pyrazol-1-yl)phenyl)acetonitrile
    • 2-[4-(1H-pyrazol-1-yl)phenyl]acetonitrile
    • AKOS023166257
    • SCHEMBL11493922
    • G25349
    • TFA42655
    • MDL: MFCD08691146
    • Inchi: 1S/C11H9N3/c12-7-6-10-2-4-11(5-3-10)14-9-1-8-13-14/h1-5,8-9H,6H2
    • InChI Key: QGSWQGPKRSYWGS-UHFFFAOYSA-N
    • SMILES: N1(C=CC=N1)C1C=CC(CC#N)=CC=1

Computed Properties

  • Exact Mass: 183.07977
  • Monoisotopic Mass: 183.079647300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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: 1.9
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • PSA: 41.61

2-4-(1H-pyrazol-1-yl)phenylacetonitrile Pricemore >>

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SHENG KE LU SI SHENG WU JI SHU
sc-276628-250 mg
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