N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 866168
• Molecular Formular: C15H20N6O
• Molecular Mass: 300.3589
• Monoisotopic Mass: 300.16985929
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCc1n[nH]c(c1)COC)C
• Canonical SMILES: COCc1[nH]nc(c1)CNc1cc(C)nc2n1nc(c2C)C
• InChI: InChI=1S/C15H20N6O/c1-9-5-14(21-15(17-9)10(2)11(3)20-21)16-7-12-6-13(8-22-4)19-18-12/h5-6,16H,7-8H2,1-4H3,(H,18,19)
• InChIKey: BUVMNHGJHNBSJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.779612
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.8967461
• LogD (pH = 7.4): 0.8970881
• Log P: 0.89711034
• Molar Refractivity: 96.6673 cm^3
• Polarizability: 31.438494 Å^3
• Polar Surface Area: 80.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.42
• LOG S: -2.6
• Polar Surface Area: 80.13 Å^2
• Rotatable Bonds: 5