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

• ChemBase ID: 479819
• Molecular Formular: C18H24N6O2
• Molecular Mass: 356.42216
• Monoisotopic Mass: 356.19607404
• SMILES: c12c(cnn1cc(cn2)CN(CC)CC)C(=O)NCc1c(onc1C)C
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)NCc1c(C)noc1C)CC
• InChI: InChI=1S/C18H24N6O2/c1-5-23(6-2)10-14-7-19-17-16(9-21-24(17)11-14)18(25)20-8-15-12(3)22-26-13(15)4/h7,9,11H,5-6,8,10H2,1-4H3,(H,20,25)
• InChIKey: YHZGJCIRNYZCKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.1026
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.0225258
• LogD (pH = 7.4): -0.26207694
• Log P: 0.80225164
• Molar Refractivity: 111.5844 cm^3
• Polarizability: 36.934067 Å^3
• Polar Surface Area: 88.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.79
• LOG S: -3.33
• Polar Surface Area: 88.56 Å^2
• Rotatable Bonds: 7