2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[3-(pyridin-2-yl)propyl]acetamide

• ChemBase ID: 683665
• Molecular Formular: C14H19N5O
• Molecular Mass: 273.33356
• Monoisotopic Mass: 273.15896025
• SMILES: n1(c(cc(n1)C)N)CC(=O)NCCCc1ncccc1
• Canonical SMILES: O=C(Cn1nc(cc1N)C)NCCCc1ccccn1
• InChI: InChI=1S/C14H19N5O/c1-11-9-13(15)19(18-11)10-14(20)17-8-4-6-12-5-2-3-7-16-12/h2-3,5,7,9H,4,6,8,10,15H2,1H3,(H,17,20)
• InChIKey: GVTIDSGDOXBIEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[3-(pyridin-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(pyridin-2-yl)propyl]acetamide
• Synonyms: 2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.035895
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.26872548
• LogD (pH = 7.4): -0.19942331
• Log P: -0.19849563
• Molar Refractivity: 87.698 cm^3
• Polarizability: 29.149641 Å^3
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.02
• LOG S: -1.22
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 6