1H-Pyrazole, 3-methyl-

• Formula: C₄H₆N₂
• Molecular weight: 82.1038
• IUPAC Standard InChI: InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6) Copy

  
• IUPAC Standard InChIKey: XKVUYEYANWFIJX-UHFFFAOYSA-N Copy
• CAS Registry Number: 1453-58-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Pyrazole, 3-methyl-; Pyrazole, 5-methyl-; 3(5)-Methylpyrazole; 5-Methylpyrazole; Pyrazole, 3(or 5)-methyl-; 3-Methyl-1H-pyrazole; 3-Methylpyrazole
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess

De-protonation reactions

C₄H₅N₂^- +  =

By formula: C₄H₅N₂^- + H⁺ = C₄H₆N₂

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Taft, 1991
Taft, R.W., , personal communication, Aug, 1991. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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