5-cyclohexyl-1H-pyrazol-3-amine

• ChemBase ID: 276730
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: c1c([nH]nc1N)C1CCCCC1
• Canonical SMILES: Nc1cc([nH]n1)C1CCCCC1
• InChI: InChI=1S/C9H15N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,10,11,12)
• InChIKey: FKGKCJWLTPEMRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclohexyl-1H-pyrazol-3-amine
• IUPAC Traditional name: 5-cyclohexyl-1H-pyrazol-3-amine
• Synonyms: 5-cyclohexyl-1H-pyrazol-3-amine

Database IDs

• CAS Number: 81542-54-3
• MDL Number: MFCD09991903
• PubChem SID: 164332640
• PubChem CID: 12831625

CALCULATED PROPERTIES

• Acid pKa: 16.08554
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9790934
• LogD (pH = 7.4): 1.9997284
• Log P: 1.999998
• Molar Refractivity: 50.9054 cm^3
• Polarizability: 18.50328 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.254

Product Information

• Purity: 95%; 95+%