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

• ChemBase ID: 689047
• Molecular Formular: C18H26N6O2
• Molecular Mass: 358.43804
• Monoisotopic Mass: 358.2117241
• SMILES: c12c(C(=O)NC3(C(=O)N)CCCC3)cnn1cc(cn2)CN(CC)CC
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)NC1(CCCC1)C(=O)N)CC
• InChI: InChI=1S/C18H26N6O2/c1-3-23(4-2)11-13-9-20-15-14(10-21-24(15)12-13)16(25)22-18(17(19)26)7-5-6-8-18/h9-10,12H,3-8,11H2,1-2H3,(H2,19,26)(H,22,25)
• InChIKey: DXWQGNCMCJRVIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-carbamoylcyclopentyl)-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-(1-carbamoylcyclopentyl)-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-[1-(aminocarbonyl)cyclopentyl]-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.945167
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.1885328
• LogD (pH = 7.4): -0.42812517
• Log P: 0.63619137
• Molar Refractivity: 110.1484 cm^3
• Polarizability: 37.51796 Å^3
• Polar Surface Area: 105.62 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: 0.58
• LOG S: -2.31
• Polar Surface Area: 105.62 Å^2
• Rotatable Bonds: 7