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

• ChemBase ID: 57423
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: C1CCCCC1n1c(ccn1)N
• Canonical SMILES: Nc1ccnn1C1CCCCC1
• InChI: InChI=1S/C9H15N3/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h6-8H,1-5,10H2
• InChIKey: PTQWQGFQOJOBJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-cyclohexylpyrazol-3-amine
• Synonyms: 1-Cyclohexyl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 3528-50-5
• MDL Number: MFCD03596774
• PubChem SID: 162062186
• PubChem CID: 77060

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4572446
• LogD (pH = 7.4): 1.4606973
• Log P: 1.4607414
• Molar Refractivity: 59.9293 cm^3
• Polarizability: 18.508177 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80 - 82°C
• Hydrophobicity(logP): 1.503

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%