N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 351461
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: n12c(nc(cc1NCCCC1COCC1)c1ccccc1)ccn2
• Canonical SMILES: C(CC1COCC1)CNc1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C19H22N4O/c1-2-6-16(7-3-1)17-13-19(23-18(22-17)8-11-21-23)20-10-4-5-15-9-12-24-14-15/h1-3,6-8,11,13,15,20H,4-5,9-10,12,14H2
• InChIKey: JUTGUYFXDYJEQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-phenyl-N-[3-(tetrahydro-3-furanyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.114433
• LogD (pH = 7.4): 3.1144724
• Log P: 3.1144729
• Molar Refractivity: 105.8794 cm^3
• Polarizability: 37.345875 Å^3
• Polar Surface Area: 51.45 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: 3.08
• LOG S: -4.18
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 6