4-{3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1-ethyl-1H-pyrazole

• ChemBase ID: 541727
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c12c(n[nH]c2CCN(C(=O)c2cn(nc2)CC)C1)C1CC1
• Canonical SMILES: CCn1ncc(c1)C(=O)N1CCc2c(C1)c(n[nH]2)C1CC1
• InChI: InChI=1S/C15H19N5O/c1-2-20-8-11(7-16-20)15(21)19-6-5-13-12(9-19)14(18-17-13)10-3-4-10/h7-8,10H,2-6,9H2,1H3,(H,17,18)
• InChIKey: QPULDJMVWJQJHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1-ethyl-1H-pyrazole
• IUPAC Traditional name: 4-{3-cyclopropyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1-ethylpyrazole
• Synonyms: 3-cyclopropyl-5-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.372174
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7264739
• LogD (pH = 7.4): 0.72691226
• Log P: 0.7269179
• Molar Refractivity: 92.17 cm^3
• Polarizability: 29.51306 Å^3
• Polar Surface Area: 66.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.82
• LOG S: -1.98
• Polar Surface Area: 66.81 Å^2
• Rotatable Bonds: 3