1-(2-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazol-5-amine

• ChemBase ID: 280006
• Molecular Formular: C15H11F2N3
• Molecular Mass: 271.2647464
• Monoisotopic Mass: 271.09210381
• SMILES: n1(nc(cc1N)c1ccc(cc1)F)c1c(F)cccc1
• Canonical SMILES: Fc1ccc(cc1)c1nn(c(c1)N)c1ccccc1F
• InChI: InChI=1S/C15H11F2N3/c16-11-7-5-10(6-8-11)13-9-15(18)20(19-13)14-4-2-1-3-12(14)17/h1-9H,18H2
• InChIKey: VZZNGCDYECSLMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-(2-fluorophenyl)-5-(4-fluorophenyl)pyrazol-3-amine
• Synonyms: 1-(2-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD08445189
• PubChem SID: 180665537
• PubChem CID: 16228601

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6365073
• LogD (pH = 7.4): 3.6378913
• Log P: 3.637909
• Molar Refractivity: 73.5704 cm^3
• Polarizability: 28.787056 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.885

Product Information

• Purity: 95%