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

• ChemBase ID: 318170
• Molecular Formular: C17H25N5O2
• Molecular Mass: 331.4127
• Monoisotopic Mass: 331.20082507
• SMILES: c12c(cnn1cc(cn2)CN(CC)CC)C(=O)NCC1OCCC1
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)NCC1CCCO1)CC
• InChI: InChI=1S/C17H25N5O2/c1-3-21(4-2)11-13-8-18-16-15(10-20-22(16)12-13)17(23)19-9-14-6-5-7-24-14/h8,10,12,14H,3-7,9,11H2,1-2H3,(H,19,23)
• InChIKey: JMWMIWZOFHEOFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.756155
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.0238502
• LogD (pH = 7.4): -0.26344576
• Log P: 0.8008907
• Molar Refractivity: 104.0433 cm^3
• Polarizability: 35.148075 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.93
• LOG S: -2.41
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 7