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

• ChemBase ID: 509053
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c12c(C(=O)Nc3c(CO)cccc3C)cnn1cc(cn2)CN(CC)CC
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)Nc1c(C)cccc1CO)CC
• InChI: InChI=1S/C20H25N5O2/c1-4-24(5-2)11-15-9-21-19-17(10-22-25(19)12-15)20(27)23-18-14(3)7-6-8-16(18)13-26/h6-10,12,26H,4-5,11,13H2,1-3H3,(H,23,27)
• InChIKey: DXYJDYUHFRIPCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.522329
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.6786274
• LogD (pH = 7.4): 1.0817746
• Log P: 2.1459417
• Molar Refractivity: 119.2041 cm^3
• Polarizability: 39.958893 Å^3
• Polar Surface Area: 82.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.05
• LOG S: -3.23
• Polar Surface Area: 82.76 Å^2
• Rotatable Bonds: 7