N-cyclopropyl-5-(5-methyl-1-propyl-1H-pyrazole-4-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 327396
• Molecular Formular: C18H24N6O2
• Molecular Mass: 356.42216
• Monoisotopic Mass: 356.19607404
• SMILES: c1(C(=O)N2Cc3n(nc(c3)C(=O)NC3CC3)CC2)c(n(nc1)CCC)C
• Canonical SMILES: CCCn1ncc(c1C)C(=O)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C18H24N6O2/c1-3-6-23-12(2)15(10-19-23)18(26)22-7-8-24-14(11-22)9-16(21-24)17(25)20-13-4-5-13/h9-10,13H,3-8,11H2,1-2H3,(H,20,25)
• InChIKey: CEXWMRUPEKWPRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-(5-methyl-1-propyl-1H-pyrazole-4-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-(5-methyl-1-propylpyrazole-4-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.166532
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6044858
• LogD (pH = 7.4): 0.6045299
• Log P: 0.6045306
• Molar Refractivity: 120.4943 cm^3
• Polarizability: 36.08106 Å^3
• Polar Surface Area: 85.05 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: 0.72
• LOG S: -2.42
• Polar Surface Area: 85.05 Å^2
• Rotatable Bonds: 5