N-(5-methyl-1H-pyrazol-3-yl)acetamide

• ChemBase ID: 289940
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: CC(=O)Nc1n[nH]c(C)c1
• Canonical SMILES: CC(=O)Nc1n[nH]c(c1)C
• InChI: InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
• InChIKey: LUFRABHJXNJTNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-methyl-1H-pyrazol-3-yl)acetamide
• IUPAC Traditional name: N-(5-methyl-1H-pyrazol-3-yl)acetamide
• Synonyms: N-(5-Methyl-1H-pyrazol-3-yl)acetamide

Database IDs

• CAS Number: 83725-05-7
• PubChem SID: 180675471
• PubChem CID: 5246311

CALCULATED PROPERTIES

• Acid pKa: 11.690867
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.30909988
• LogD (pH = 7.4): 0.30913717
• Log P: 0.30915904
• Molar Refractivity: 40.0716 cm^3
• Polarizability: 13.815245 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%