N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 353871
• Molecular Formular: C18H23N7O2
• Molecular Mass: 369.42092
• Monoisotopic Mass: 369.19132301
• SMILES: c12c(cnn1cc(cn2)CN(CC)CC)C(=O)NCc1nc(no1)C1CC1
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)NCc1onc(n1)C1CC1)CC
• InChI: InChI=1S/C18H23N7O2/c1-3-24(4-2)10-12-7-19-17-14(8-21-25(17)11-12)18(26)20-9-15-22-16(23-27-15)13-5-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,20,26)
• InChIKey: RCOWSYSNTXXWSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.331839
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.5212661
• LogD (pH = 7.4): 0.26467398
• Log P: 1.3294058
• Molar Refractivity: 112.3679 cm^3
• Polarizability: 37.283566 Å^3
• Polar Surface Area: 101.45 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.59
• LOG S: -2.4
• Polar Surface Area: 101.45 Å^2
• Rotatable Bonds: 8