4-({5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbutanamide

• ChemBase ID: 826912
• Molecular Formular: C14H21N5O
• Molecular Mass: 275.34944
• Monoisotopic Mass: 275.17461032
• SMILES: n12c(nc(cc1NCCCC(=O)N(C)C)CC)ccn2
• Canonical SMILES: CCc1cc(NCCCC(=O)N(C)C)n2c(n1)ccn2
• InChI: InChI=1S/C14H21N5O/c1-4-11-10-13(19-12(17-11)7-9-16-19)15-8-5-6-14(20)18(2)3/h7,9-10,15H,4-6,8H2,1-3H3
• InChIKey: RMMZWUGDFYXKOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbutanamide
• IUPAC Traditional name: 4-({5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbutanamide
• Synonyms: 4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbutanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6909649
• LogD (pH = 7.4): 0.69101393
• Log P: 0.6910145
• Molar Refractivity: 89.5937 cm^3
• Polarizability: 29.394197 Å^3
• Polar Surface Area: 62.53 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: 1.03
• LOG S: -2.09
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6