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

• ChemBase ID: 237409
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1n(ccc1N)C1CCCCC1
• Canonical SMILES: Nc1ccn(n1)C1CCCCC1
• InChI: InChI=1S/C9H15N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,10,11)
• InChIKey: BRWKEHLYZRNYNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09965608
• PubChem SID: 164293319
• PubChem CID: 12486716

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.959848
• LogD (pH = 7.4): 1.9658312
• Log P: 1.9659079
• Molar Refractivity: 60.9895 cm^3
• Polarizability: 18.502316 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.503

Product Information

• Purity: 95%