4-{4-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}phenol

• ChemBase ID: 396983
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)N1CCN(c2ccc(cc2)O)CC1
• Canonical SMILES: Oc1ccc(cc1)N1CCN(CC1)c1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C19H23N5O/c1-14(2)17-13-19(24-18(21-17)7-8-20-24)23-11-9-22(10-12-23)15-3-5-16(25)6-4-15/h3-8,13-14,25H,9-12H2,1-2H3
• InChIKey: GWNMLKISZJMQEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{4-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}phenol
• IUPAC Traditional name: 4-(4-{5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)phenol
• Synonyms: 4-[4-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.2983465
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.6351528
• LogD (pH = 7.4): 3.6589868
• Log P: 3.6598742
• Molar Refractivity: 109.7779 cm^3
• Polarizability: 36.941235 Å^3
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.45
• LOG S: -3.75
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 3