N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]cyclopropanecarboxamide

• ChemBase ID: 820283
• Molecular Formular: C13H14N4O
• Molecular Mass: 242.27646
• Monoisotopic Mass: 242.11676109
• SMILES: c1(cn(nc1)C)c1cnc(NC(=O)C2CC2)cc1
• Canonical SMILES: Cn1ncc(c1)c1ccc(nc1)NC(=O)C1CC1
• InChI: InChI=1S/C13H14N4O/c1-17-8-11(7-15-17)10-4-5-12(14-6-10)16-13(18)9-2-3-9/h4-9H,2-3H2,1H3,(H,14,16,18)
• InChIKey: DXZLPJCKVJRPOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]cyclopropanecarboxamide
• IUPAC Traditional name: N-[5-(1-methylpyrazol-4-yl)pyridin-2-yl]cyclopropanecarboxamide
• Synonyms: N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.013497
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4391567
• LogD (pH = 7.4): 1.4425689
• Log P: 1.4426229
• Molar Refractivity: 80.5164 cm^3
• Polarizability: 26.78493 Å^3
• Polar Surface Area: 59.81 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: 1.05
• LOG S: -1.86
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 3