5-cycloheptyl-1H-pyrazol-3-amine

• ChemBase ID: 276731
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: c1c([nH]nc1N)C1CCCCCC1
• Canonical SMILES: Nc1cc([nH]n1)C1CCCCCC1
• InChI: InChI=1S/C10H17N3/c11-10-7-9(12-13-10)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H3,11,12,13)
• InChIKey: YWEFAASSEQSXKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16808531
• PubChem SID: 164332641
• PubChem CID: 54594329

CALCULATED PROPERTIES

• Acid pKa: 16.08554
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4236622
• LogD (pH = 7.4): 2.444297
• Log P: 2.4445667
• Molar Refractivity: 55.5064 cm^3
• Polarizability: 20.344936 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.813

Product Information

• Purity: 95%