Cas no 1007538-66-0 ((3-methyl-1H-pyrazol-4-yl)methanamine)

(3-Methyl-1H-pyrazol-4-yl)methanamine is a versatile heterocyclic amine derivative with a pyrazole core, valued for its role as a key intermediate in pharmaceutical and agrochemical synthesis. The compound features a reactive primary amine group attached to the 4-position of the 3-methylpyrazole scaffold, enabling its use in diverse coupling reactions, including amide formation and reductive amination. Its stable pyrazole ring enhances structural rigidity, making it suitable for designing bioactive molecules. The methyl substituent at the 3-position further modulates electronic and steric properties, influencing binding affinity in target applications. This compound is particularly useful in medicinal chemistry for developing kinase inhibitors and other therapeutic agents due to its balanced lipophilicity and functional group compatibility.
(3-methyl-1H-pyrazol-4-yl)methanamine structure
1007538-66-0 structure
Product Name:(3-methyl-1H-pyrazol-4-yl)methanamine
CAS No:1007538-66-0
MF:C5H9N3
MW:111.145060300827
MDL:MFCD05664573
CID:2142433
PubChem ID:1417882
Update Time:2025-10-29

(3-methyl-1H-pyrazol-4-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-1H-Pyrazole-4-methanamine
    • (3-methyl-1H-pyrazol-4-yl)methanamine
    • BBL008531
    • 1H-Pyrazole-4-methanamine, 3-methyl-
    • ALBB-016330
    • AKOS025394096
    • F2198-2659
    • DB-304706
    • SCHEMBL18756770
    • DTXSID20362874
    • 1048924-93-1
    • G19247
    • AKOS003673204
    • SCHEMBL4054528
    • Z1837077131
    • BS-12845
    • EN300-31283
    • 1-(5-methyl-1H-pyrazol-4-yl)methanamine
    • CS-0215938
    • 1-(5-methyl-1H-pyrazol-4-yl)methanamine dihydrobromide
    • 838-156-4
    • AKOS000264826
    • DB-336139
    • MFCD08685643
    • STK256635
    • (5-methyl-1H-pyrazol-4-yl)methanamine
    • F2198-3788
    • 1007538-66-0
    • MDL: MFCD05664573
    • Inchi: 1S/C5H9N3/c1-4-5(2-6)3-7-8-4/h3H,2,6H2,1H3,(H,7,8)
    • InChI Key: YPBTTWVBPFEPBE-UHFFFAOYSA-N
    • SMILES: N1C(C)=C(C=N1)CN

Computed Properties

  • Exact Mass: 111.079647g/mol
  • Monoisotopic Mass: 111.079647g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 74.1
  • 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
  • Molecular Weight: 111.15g/mol
  • XLogP3: -0.5
  • Topological Polar Surface Area: 54.7?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 290.0±25.0 °C at 760 mmHg
  • Flash Point: 154.1±10.4 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

(3-methyl-1H-pyrazol-4-yl)methanamine Security Information

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