3-(propan-2-yl)-5-[2-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl]-1H-pyrazole

• ChemBase ID: 615136
• Molecular Formular: C18H24N6O2
• Molecular Mass: 356.42216
• Monoisotopic Mass: 356.19607404
• SMILES: c1(nn2c(c1)CN(C(=O)c1cc(n[nH]1)C(C)C)CC2)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1[nH]nc(c1)C(C)C)N1CCn2c(C1)cc(n2)C(=O)N1CCCC1
• InChI: InChI=1S/C18H24N6O2/c1-12(2)14-10-15(20-19-14)17(25)23-7-8-24-13(11-23)9-16(21-24)18(26)22-5-3-4-6-22/h9-10,12H,3-8,11H2,1-2H3,(H,19,20)
• InChIKey: QZXRDRPEIUKSQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(propan-2-yl)-5-[2-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl]-1H-pyrazole
• IUPAC Traditional name: 3-isopropyl-5-[2-(pyrrolidine-1-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl]-1H-pyrazole
• Synonyms: 5-[(3-isopropyl-1H-pyrazol-5-yl)carbonyl]-2-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.714936
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.86063874
• LogD (pH = 7.4): 0.8587174
• Log P: 0.8607652
• Molar Refractivity: 109.7529 cm^3
• Polarizability: 36.157875 Å^3
• Polar Surface Area: 87.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.68
• LOG S: -2.38
• Polar Surface Area: 87.12 Å^2
• Rotatable Bonds: 3