N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1H-pyrazol-1-yl)acetamide

• ChemBase ID: 707533
• Molecular Formular: C15H20N6O
• Molecular Mass: 300.3589
• Monoisotopic Mass: 300.16985929
• SMILES: c1(nc2c(C(NC(=O)Cn3nccc3)CCC2)cn1)N(C)C
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)N(C)C)Cn1cccn1
• InChI: InChI=1S/C15H20N6O/c1-20(2)15-16-9-11-12(5-3-6-13(11)19-15)18-14(22)10-21-8-4-7-17-21/h4,7-9,12H,3,5-6,10H2,1-2H3,(H,18,22)
• InChIKey: BQSMQWCAZQJWHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1H-pyrazol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(pyrazol-1-yl)acetamide
• Synonyms: N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]-2-(1H-pyrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.19278
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.73903984
• LogD (pH = 7.4): 0.746231
• Log P: 0.7463241
• Molar Refractivity: 95.1744 cm^3
• Polarizability: 31.23454 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.67
• LOG S: -3.68
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 3