5-cyclopentyl-1H-pyrazol-3-amine

• ChemBase ID: 276714
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1c([nH]nc1N)C1CCCC1
• Canonical SMILES: Nc1cc([nH]n1)C1CCCC1
• InChI: InChI=1S/C8H13N3/c9-8-5-7(10-11-8)6-3-1-2-4-6/h5-6H,1-4H2,(H3,9,10,11)
• InChIKey: PXEDPQCHOFQXCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopentyl-1H-pyrazol-3-amine; 3-cyclopentyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 5-cyclopentyl-1H-pyrazol-3-amine; 5-cyclopentyl-2H-pyrazol-3-amine
• Synonyms: 5-cyclopentyl-1H-pyrazol-3-amine; 3-AMINO-5-CYCLOPENTYL-2H-PYRAZOLE

Database IDs

• CAS Number: 264209-16-7
• MDL Number: MFCD04115105
• PubChem SID: 164332624
• PubChem CID: 22176827

CALCULATED PROPERTIES

• Acid pKa: 14.615219
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3153713
• LogD (pH = 7.4): 1.3378049
• Log P: 1.3380985
• Molar Refractivity: 44.8918 cm^3
• Polarizability: 16.667639 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.695

Product Information

• Purity: 95%; 98%