N-{1-[1-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethyl}-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 582018
• Molecular Formular: C19H20N6O
• Molecular Mass: 348.4017
• Monoisotopic Mass: 348.16985929
• SMILES: c1(n2c(nc(c1)C)ccn2)NC(c1cn(nc1)c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)n1ncc(c1)C(Nc1cc(C)nc2n1ncc2)C
• InChI: InChI=1S/C19H20N6O/c1-13-10-19(25-18(22-13)8-9-20-25)23-14(2)15-11-21-24(12-15)16-4-6-17(26-3)7-5-16/h4-12,14,23H,1-3H3
• InChIKey: AFXFMTXKOYJQMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethyl}-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-{1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl}-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-{1-[1-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethyl}-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.415528
• LogD (pH = 7.4): 2.4156063
• Log P: 2.4156072
• Molar Refractivity: 111.6685 cm^3
• Polarizability: 38.14873 Å^3
• Polar Surface Area: 69.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.82
• LOG S: -4.15
• Polar Surface Area: 69.27 Å^2
• Rotatable Bonds: 5