N,2,5-trimethyl-N-[3-(1H-pyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 513042
• Molecular Formular: C15H20N6
• Molecular Mass: 284.3595
• Monoisotopic Mass: 284.17494467
• SMILES: n12c(nc(cc1N(CCCn1nccc1)C)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2N(CCCn1cccn1)C)C
• InChI: InChI=1S/C15H20N6/c1-12-11-15(21-14(17-12)10-13(2)18-21)19(3)7-5-9-20-8-4-6-16-20/h4,6,8,10-11H,5,7,9H2,1-3H3
• InChIKey: RNIPEEONFVDHNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,5-trimethyl-N-[3-(1H-pyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N,2,5-trimethyl-N-[3-(pyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N,2,5-trimethyl-N-[3-(1H-pyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4020672
• LogD (pH = 7.4): 1.4025819
• Log P: 1.4025885
• Molar Refractivity: 104.4963 cm^3
• Polarizability: 30.73687 Å^3
• Polar Surface Area: 51.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.13
• LOG S: -3.09
• Polar Surface Area: 51.25 Å^2
• Rotatable Bonds: 5