6-[(diethylamino)methyl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 866024
• Molecular Formular: C15H23N5O2
• Molecular Mass: 305.37542
• Monoisotopic Mass: 305.185175
• SMILES: c12c(cnn1cc(cn2)CN(CC)CC)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1cnn2c1ncc(c2)CN(CC)CC
• InChI: InChI=1S/C15H23N5O2/c1-4-19(5-2)10-12-8-17-14-13(9-18-20(14)11-12)15(21)16-6-7-22-3/h8-9,11H,4-7,10H2,1-3H3,(H,16,21)
• InChIKey: YBHWFRTZKWWCLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(diethylamino)methyl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 6-[(diethylamino)methyl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: 6-[(diethylamino)methyl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.760133
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.4894147
• LogD (pH = 7.4): -0.7290103
• Log P: 0.33532614
• Molar Refractivity: 96.8321 cm^3
• Polarizability: 32.196476 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.93
• LOG S: -2.22
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 8