2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-amine

• ChemBase ID: 281678
• Molecular Formular: C18H14N4
• Molecular Mass: 286.33056
• Monoisotopic Mass: 286.12184647
• SMILES: n12c(c(c(n1)c1ccccc1)c1ccccc1)ncc(c2)N
• Canonical SMILES: Nc1cnc2n(c1)nc(c2c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H14N4/c19-15-11-20-18-16(13-7-3-1-4-8-13)17(21-22(18)12-15)14-9-5-2-6-10-14/h1-12H,19H2
• InChIKey: BEGXHTDHZXMSRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-amine
• IUPAC Traditional name: 2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-amine
• Synonyms: 2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-amine

Database IDs

• MDL Number: MFCD14705892
• PubChem SID: 180667209
• PubChem CID: 47003436

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5043337
• LogD (pH = 7.4): 3.5043476
• Log P: 3.5043478
• Molar Refractivity: 98.3744 cm^3
• Polarizability: 35.57646 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.565

Product Information

• Purity: 95%