6-[4-(1-methoxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 550089
• Molecular Formular: C16H16N4O2
• Molecular Mass: 296.32384
• Monoisotopic Mass: 296.12732577
• SMILES: c12c(cnn1cc(cn2)c1ccc(cc1)C(OC)C)C(=O)N
• Canonical SMILES: COC(c1ccc(cc1)c1cnc2n(c1)ncc2C(=O)N)C
• InChI: InChI=1S/C16H16N4O2/c1-10(22-2)11-3-5-12(6-4-11)13-7-18-16-14(15(17)21)8-19-20(16)9-13/h3-10H,1-2H3,(H2,17,21)
• InChIKey: ZDROEGCJPIQXFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(1-methoxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 6-[4-(1-methoxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: 6-[4-(1-methoxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.332976
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4431868
• LogD (pH = 7.4): 1.4431945
• Log P: 1.4431901
• Molar Refractivity: 93.9741 cm^3
• Polarizability: 32.38452 Å^3
• Polar Surface Area: 82.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.2
• LOG S: -2.5
• Polar Surface Area: 82.51 Å^2
• Rotatable Bonds: 4