N-(3-hydroxy-3-phenylpropyl)-N,5-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 566143
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)N(CCC(c1ccccc1)O)C
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)N(CCC(c1ccccc1)O)C
• InChI: InChI=1S/C18H24N4O2/c1-20-10-11-22-15(13-20)12-16(19-22)18(24)21(2)9-8-17(23)14-6-4-3-5-7-14/h3-7,12,17,23H,8-11,13H2,1-2H3
• InChIKey: NSUFKBFCCOZQSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxy-3-phenylpropyl)-N,5-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(3-hydroxy-3-phenylpropyl)-N,5-dimethyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-(3-hydroxy-3-phenylpropyl)-N,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.442644
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4411142
• LogD (pH = 7.4): 0.91771454
• Log P: 0.9289195
• Molar Refractivity: 105.3529 cm^3
• Polarizability: 35.636703 Å^3
• Polar Surface Area: 61.6 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: 0.62
• LOG S: -2.12
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 5