Cas no 945457-69-2 (3-(3-Methyl-1H-pyrazol-1-yl)propanenitrile)

3-(3-Methyl-1H-pyrazol-1-yl)propanenitrile is a versatile heterocyclic nitrile compound featuring a pyrazole core with a methyl substituent at the 3-position. Its structure combines the reactivity of a nitrile group with the stability and functional diversity of the pyrazole ring, making it a valuable intermediate in organic synthesis and pharmaceutical applications. The compound is particularly useful in the development of agrochemicals, pharmaceuticals, and specialty chemicals due to its ability to undergo further functionalization, such as nucleophilic additions or cyclization reactions. Its well-defined molecular framework ensures consistent reactivity, facilitating precise modifications for targeted applications. The compound is typically handled under standard laboratory conditions, with stability suitable for synthetic workflows.
3-(3-Methyl-1H-pyrazol-1-yl)propanenitrile structure
945457-69-2 structure
Product Name:3-(3-Methyl-1H-pyrazol-1-yl)propanenitrile
CAS No:945457-69-2
MF:C7H9N3
MW:135.166460752487
MDL:MFCD02766896
CID:3058529
PubChem ID:19616358
Update Time:2025-06-06

3-(3-Methyl-1H-pyrazol-1-yl)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(3-Methyl-1H-pyrazol-1-yl)propanenitrile
    • CS-0282769
    • 3-(3-Methyl-pyrazol-1-yl)-propionitrile
    • 3-(3-methylpyrazol-1-yl)propanenitrile
    • STK349458
    • 945457-69-2
    • EN300-229277
    • 3-(3-methyl-1h-pyrazol-1-yl)-propanenitrile
    • AKOS000307576
    • SCHEMBL18214767
    • MDL： MFCD02766896
    • Inchi： 1S/C7H9N3/c1-7-3-6-10(9-7)5-2-4-8/h3,6H,2,5H2,1H3
    • InChI Key： SEWXMNYWIRHFGL-UHFFFAOYSA-N
    • SMILES： N1(C=CC(C)=N1)CCC#N

Computed Properties

  • Exact Mass: 135.079647300Da
  • Monoisotopic Mass: 135.079647300Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 146
  • 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: 0.3
  • Topological Polar Surface Area: 41.6?2

3-(3-Methyl-1H-pyrazol-1-yl)propanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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Chemenu
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Fluorochem
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Enamine
EN300-229277-0.05g
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Enamine
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