4-{1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}-5-methyl-1-propyl-1H-pyrazole

• ChemBase ID: 756866
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c1(C(=O)N2C(c3n(ccc3)CC2)CC)c(n(nc1)CCC)C
• Canonical SMILES: CCCn1ncc(c1C)C(=O)N1CCn2c(C1CC)ccc2
• InChI: InChI=1S/C17H24N4O/c1-4-8-21-13(3)14(12-18-21)17(22)20-11-10-19-9-6-7-16(19)15(20)5-2/h6-7,9,12,15H,4-5,8,10-11H2,1-3H3
• InChIKey: VYUSWQLHSGYPMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}-5-methyl-1-propyl-1H-pyrazole
• IUPAC Traditional name: 4-{1-ethyl-1H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}-5-methyl-1-propylpyrazole
• Synonyms: 1-ethyl-2-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4935532
• LogD (pH = 7.4): 2.4935963
• Log P: 2.4935968
• Molar Refractivity: 99.3749 cm^3
• Polarizability: 32.958652 Å^3
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.92
• LOG S: -3.88
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 4