N,5,7-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 662896
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: c12n(nc(c1)C(=O)N(Cc1oc(cc1)C)C)c(cc(n2)C)C
• Canonical SMILES: Cc1ccc(o1)CN(C(=O)c1cc2n(n1)c(C)cc(n2)C)C
• InChI: InChI=1S/C16H18N4O2/c1-10-7-11(2)20-15(17-10)8-14(18-20)16(21)19(4)9-13-6-5-12(3)22-13/h5-8H,9H2,1-4H3
• InChIKey: UBWJGEWBDLUPFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5,7-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N,5,7-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N,5,7-trimethyl-N-[(5-methyl-2-furyl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6520237
• LogD (pH = 7.4): 1.6520278
• Log P: 1.652028
• Molar Refractivity: 94.1678 cm^3
• Polarizability: 30.688313 Å^3
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.85
• LOG S: -2.1
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3