N-(1-ethyl-1H-pyrazol-3-yl)-2-(piperidin-4-yl)acetamide hydrochloride

• ChemBase ID: 62338
• Molecular Formular: C12H21ClN4O
• Molecular Mass: 272.77434
• Monoisotopic Mass: 272.14038899
• SMILES: n1c(ccn1CC)NC(=O)CC1CCNCC1.Cl
• Canonical SMILES: CCn1ccc(n1)NC(=O)CC1CCNCC1.Cl
• InChI: InChI=1S/C12H20N4O.ClH/c1-2-16-8-5-11(15-16)14-12(17)9-10-3-6-13-7-4-10;/h5,8,10,13H,2-4,6-7,9H2,1H3,(H,14,15,17);1H
• InChIKey: KOLWKCVTSBXTEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-1H-pyrazol-3-yl)-2-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: N-(1-ethylpyrazol-3-yl)-2-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: N-(1-Ethyl-1H-pyrazol-3-yl)-2-piperidin-4-yl-acetamide hydrochloride

Database IDs

• MDL Number: MFCD21605928
• PubChem SID: 162028077
• PubChem CID: 71298678

CALCULATED PROPERTIES

• Acid pKa: 11.628278
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.339128
• LogD (pH = 7.4): -1.6732383
• Log P: 0.7471883
• Molar Refractivity: 79.8932 cm^3
• Polarizability: 25.630676 Å^3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false