Chemical Properties of Nifenazone (CAS 2139-47-1)

InChI

InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)

InChI Key

BRZANEXCSZCZCI-UHFFFAOYSA-N

Formula

C17H16N4O2

SMILES

Cc1c(N=C(O)c2cccnc2)c(=O)n(-c2ccccc2)n1C

Molecular Weight¹

308.33

CAS

2139-47-1

Other Names

• 3-Pyridinecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
• Nicotinamide, N-antipyrinyl-
• N-Antipyrinylnicotinamide
• Niapyrin
• Nicazane
• Nicodon
• Nicodone
• Nicofesone
• Nicophesone
• Nicophezon
• Nicopyron
• Nicoreumal
• Nicoron
• Nicotazone
• Nicotinic acid 4-antipyrilamide
• Nicotinoylantipyrine
• Nicozone
• Nifenazon
• Nikodon
• Nikofezon
• Phenicazone
• Thylin
• 4-(Nicotinoylamino)antipyrine
• N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-pyridinecarboxamide
• Nicotinamide, N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-
• Nicotinic acid, amidophenyldimethylpyrazolone
• 4-Nicotinoylamido-1-phenyl-2,3-dimethyl-5-pyrazolone
• 4-(Nicotinamido)antipyrine
• Nicotinoylaminoantipyrine
• Anicotinoylantipyrine
• Nicotinsaeureamidophenyldimethylpyrazolons
• Dolongan
• N-Nicotinoylaminoantipyrine
• Niprazine
• Reupiron

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Nifenazone.

Sources

• Cheméo Relay (1.0)
• 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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