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

• ChemBase ID: 615323
• Molecular Formular: C14H18N6
• Molecular Mass: 270.33292
• Monoisotopic Mass: 270.15929461
• SMILES: n12c(nc(cc1NCCn1nccc1)CCC)ccn2
• Canonical SMILES: CCCc1cc(NCCn2cccn2)n2c(n1)ccn2
• InChI: InChI=1S/C14H18N6/c1-2-4-12-11-14(20-13(18-12)5-7-17-20)15-8-10-19-9-3-6-16-19/h3,5-7,9,11,15H,2,4,8,10H2,1H3
• InChIKey: JKDGRUQDEHQAFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-propyl-N-[2-(1H-pyrazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-propyl-N-[2-(pyrazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-propyl-N-[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): 1.7209171
• LogD (pH = 7.4): 1.7210951
• Log P: 1.7210974
• Molar Refractivity: 100.0325 cm^3
• Polarizability: 28.97657 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: 2.14
• LOG S: -3.0
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6