N-[(1-benzyl-1H-pyrazol-4-yl)methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 556457
• Molecular Formular: C19H20N6
• Molecular Mass: 332.4023
• Monoisotopic Mass: 332.17494467
• SMILES: n12c(nc(cc1NCc1cn(nc1)Cc1ccccc1)CC)ccn2
• Canonical SMILES: CCc1cc(NCc2cnn(c2)Cc2ccccc2)n2c(n1)ccn2
• InChI: InChI=1S/C19H20N6/c1-2-17-10-19(25-18(23-17)8-9-21-25)20-11-16-12-22-24(14-16)13-15-6-4-3-5-7-15/h3-10,12,14,20H,2,11,13H2,1H3
• InChIKey: UJNUZQSEMLOYIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzyl-1H-pyrazol-4-yl)methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(1-benzylpyrazol-4-yl)methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[(1-benzyl-1H-pyrazol-4-yl)methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9236386
• LogD (pH = 7.4): 2.9237525
• Log P: 2.923754
• Molar Refractivity: 120.5677 cm^3
• Polarizability: 36.72009 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.76
• LOG S: -3.98
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6