1,4-diphenyl-1H-pyrazol-5-amine

• ChemBase ID: 123809
• Molecular Formular: C15H13N3
• Molecular Mass: 235.28382
• Monoisotopic Mass: 235.11094743
• SMILES: c1(c(cnn1c1ccccc1)c1ccccc1)N
• Canonical SMILES: Nc1c(cnn1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H13N3/c16-15-14(12-7-3-1-4-8-12)11-17-18(15)13-9-5-2-6-10-13/h1-11H,16H2
• InChIKey: OGWIUGFQFNQLNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diphenyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2,4-diphenylpyrazol-3-amine
• Synonyms: 1,4-diphenyl-1H-pyrazol-5-amine

Database IDs

• PubChem SID: 162218162
• PubChem CID: 4669245

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.965993
• LogD (pH = 7.4): 2.9666464
• Log P: 2.9666548
• Molar Refractivity: 73.5096 cm^3
• Polarizability: 29.626787 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true