Chemical Properties of 3-Amino-1-phenyl-2-pyrazolin-5-one (CAS 4149-06-8)

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)

InChI Key

LPOVZHYARSAVIZ-UHFFFAOYSA-N

Formula

C9H9N3O

SMILES

NC1=NN(c2ccccc2)C(=O)C1

Molecular Weight¹

175.19

CAS

4149-06-8

Other Names

• 1-Phenyl-3-amino-4,5-dihydropyrazol-5-on
• 3-amino-1-phenyl-5-pyrazolone
• 3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-phenyl-

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	[7.40; 7.70]	eV
IE	7.40	eV	NIST
IE	7.70	eV	NIST
logPoct/wat	0.696		Crippen Calculated Property
McVol	130.260	ml/mol	McGowan Calculated Property

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Similar Compounds

Find more compounds similar to 3-Amino-1-phenyl-2-pyrazolin-5-one.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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