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

• ChemBase ID: 279711
• Molecular Formular: C15H12FN3
• Molecular Mass: 253.2742832
• Monoisotopic Mass: 253.10152562
• SMILES: n1n(c(cc1c1ccccc1)N)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)n1nc(cc1N)c1ccccc1
• InChI: InChI=1S/C15H12FN3/c16-12-6-8-13(9-7-12)19-15(17)10-14(18-19)11-4-2-1-3-5-11/h1-10H,17H2
• InChIKey: PPEUUMAZFYWELH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 72411-51-9
• MDL Number: MFCD04122794
• PubChem SID: 164335621
• PubChem CID: 4391150

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4938047
• LogD (pH = 7.4): 3.4951894
• Log P: 3.495207
• Molar Refractivity: 73.354 cm^3
• Polarizability: 29.162153 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.738

Product Information

• Purity: 95%