N-cyclopropyl-5-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 854106
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: c1(nn2c(c1)CN(CC2)C/C=C/c1c(OC)cccc1)C(=O)NC1CC1
• Canonical SMILES: COc1ccccc1/C=C/CN1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C20H24N4O2/c1-26-19-7-3-2-5-15(19)6-4-10-23-11-12-24-17(14-23)13-18(22-24)20(25)21-16-8-9-16/h2-7,13,16H,8-12,14H2,1H3,(H,21,25)/b6-4+
• InChIKey: AHTIYTQPRMCMDR-GQCTYLIASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.16796
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9560897
• LogD (pH = 7.4): 2.1894689
• Log P: 2.1934276
• Molar Refractivity: 113.6213 cm^3
• Polarizability: 38.48297 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.02
• LOG S: -3.5
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6