5-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-1-propyl-1H-pyrazole

• ChemBase ID: 682955
• Molecular Formular: C13H17N5O
• Molecular Mass: 259.30698
• Monoisotopic Mass: 259.14331019
• SMILES: c1(C(=O)N2Cc3n(cnc3)CC2)n(ncc1)CCC
• Canonical SMILES: CCCn1nccc1C(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C13H17N5O/c1-2-5-18-12(3-4-15-18)13(19)16-6-7-17-10-14-8-11(17)9-16/h3-4,8,10H,2,5-7,9H2,1H3
• InChIKey: OOAIIUCBABQTBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-1-propyl-1H-pyrazole
• IUPAC Traditional name: 5-{5H,6H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-1-propylpyrazole
• Synonyms: 7-[(1-propyl-1H-pyrazol-5-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3965297
• LogD (pH = 7.4): 0.04477781
• Log P: 0.076585114
• Molar Refractivity: 83.3559 cm^3
• Polarizability: 26.650688 Å^3
• Polar Surface Area: 55.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -1.59
• LOG S: -1.04
• Polar Surface Area: 55.95 Å^2
• Rotatable Bonds: 3