N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide

• ChemBase ID: 284132
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: n1(nccc1)CC(=O)NC1CCCCC1
• Canonical SMILES: O=C(Cn1cccn1)NC1CCCCC1
• InChI: InChI=1S/C11H17N3O/c15-11(9-14-8-4-7-12-14)13-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,13,15)
• InChIKey: GQNIKYNUDKESIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide
• IUPAC Traditional name: N-cyclohexyl-2-(pyrazol-1-yl)acetamide
• Synonyms: N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide

Database IDs

• MDL Number: MFCD11775843
• PubChem SID: 180669663
• PubChem CID: 39723150

CALCULATED PROPERTIES

• Acid pKa: 15.2164345
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0949808
• LogD (pH = 7.4): 1.0950917
• Log P: 1.0950931
• Molar Refractivity: 68.7791 cm^3
• Polarizability: 22.352211 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 116 - 118°C
• Hydrophobicity(logP): 1.395

Product Information

• Purity: 95%