5-ethyl-N-[1-phenyl-2-(1H-pyrazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 652008
• Molecular Formular: C19H20N6
• Molecular Mass: 332.4023
• Monoisotopic Mass: 332.17494467
• SMILES: c1(n2c(nc(c1)CC)ccn2)NC(Cn1nccc1)c1ccccc1
• Canonical SMILES: CCc1cc(NC(c2ccccc2)Cn2cccn2)n2c(n1)ccn2
• InChI: InChI=1S/C19H20N6/c1-2-16-13-19(25-18(22-16)9-11-21-25)23-17(14-24-12-6-10-20-24)15-7-4-3-5-8-15/h3-13,17,23H,2,14H2,1H3
• InChIKey: GVOQWVUXBYXBGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[1-phenyl-2-(1H-pyrazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-[1-phenyl-2-(pyrazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-[1-phenyl-2-(1H-pyrazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.060591
• LogD (pH = 7.4): 3.0607667
• Log P: 3.0607688
• Molar Refractivity: 119.7143 cm^3
• Polarizability: 36.722244 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: 3.23
• LOG S: -4.38
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6