2-(4-amino-1H-pyrazol-1-yl)-N-cyclopentylacetamide hydrochloride

• ChemBase ID: 62377
• Molecular Formular: C10H17ClN4O
• Molecular Mass: 244.72118
• Monoisotopic Mass: 244.10908886
• SMILES: n1(ncc(c1)N)CC(=O)NC1CCCC1.Cl
• Canonical SMILES: O=C(Cn1ncc(c1)N)NC1CCCC1.Cl
• InChI: InChI=1S/C10H16N4O.ClH/c11-8-5-12-14(6-8)7-10(15)13-9-3-1-2-4-9;/h5-6,9H,1-4,7,11H2,(H,13,15);1H
• InChIKey: JJCSZEOVJMDYCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-amino-1H-pyrazol-1-yl)-N-cyclopentylacetamide hydrochloride
• IUPAC Traditional name: 2-(4-aminopyrazol-1-yl)-N-cyclopentylacetamide hydrochloride
• Synonyms: 2-(4-Amino-pyrazol-1-yl)-N-cyclopentyl-acetamide hydrochloride

Database IDs

• MDL Number: MFCD21605948
• PubChem SID: 162028116
• PubChem CID: 71298695

CALCULATED PROPERTIES

• Acid pKa: 15.162045
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.17843398
• LogD (pH = 7.4): -0.17840187
• Log P: -0.17840146
• Molar Refractivity: 68.8785 cm^3
• Polarizability: 21.665201 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false