N-cyclopropyl-5-(2-oxopentanoyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 439202
• Molecular Formular: C15H20N4O3
• Molecular Mass: 304.3443
• Monoisotopic Mass: 304.15354052
• SMILES: c1(nn2c(c1)CN(C(=O)C(=O)CCC)CC2)C(=O)NC1CC1
• Canonical SMILES: CCCC(=O)C(=O)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C15H20N4O3/c1-2-3-13(20)15(22)18-6-7-19-11(9-18)8-12(17-19)14(21)16-10-4-5-10/h8,10H,2-7,9H2,1H3,(H,16,21)
• InChIKey: PZLNKHVJLPDSKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.166526
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6779276
• LogD (pH = 7.4): 0.6779285
• Log P: 0.67792857
• Molar Refractivity: 91.072 cm^3
• Polarizability: 30.141726 Å^3
• Polar Surface Area: 84.3 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: -0.14
• LOG S: -2.61
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 5