Chemical Properties of Ethyl 3-amino-2-phenylpyrazole-4-carboxylate (CAS 16078-71-0)

InChI

InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3

InChI Key

AYJIUOZKKTUKKD-UHFFFAOYSA-N

Formula

C12H13N3O2

SMILES

CCOC(=O)c1cnn(-c2ccccc2)c1N

Molecular Weight¹

231.25

CAS

16078-71-0

Other Names

• 3-Amino-4-carbethoxy-2-phenylpyrazole
• 5-Amino-4-carboethoxy-1-phenylpyrazole
• 1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
• 5-Amino-4-ethoxycarbonyl-1-phenylpyrazole
• ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate

• 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 Ethyl 3-amino-2-phenylpyrazole-4-carboxylate.

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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