3-Amino-1-phenyl-2-pyrazolin-5-one

Formula: C₉H₉N₃O
Molecular weight: 175.1873
IUPAC Standard InChI: InChI=1S/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)
IUPAC Standard InChIKey: LPOVZHYARSAVIZ-UHFFFAOYSA-N
CAS Registry Number: 4149-06-8
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: 3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-phenyl-; 1-Phenyl-3-amino-4,5-dihydropyrazol-5-on; 3-amino-1-phenyl-5-pyrazolone
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Other data available:
- Mass spectrum (electron ionization)
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Gas phase ion energetics data

Data compiled by: Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV)	Method	Reference	Comment
7.4	PE	Vondrak, Bastl, et al., 1988
7.70	PE	Vondrak, Bastl, et al., 1988	Vertical value

References

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Vondrak, Bastl, et al., 1988
Vondrak, T.; Bastl, Z.; Bohm, S., Gas-phase tautomerism in 2,4-dihydropyrazol-3-ones: An ultraviolet photoelectron spectroscopic study and MNDO molecular orbital calculations, J. Am. Chem. Soc., 1988, 641. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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