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

• ChemBase ID: 246999
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: n1(nc(cc1C)N)C1CCCCC1
• Canonical SMILES: Cc1cc(nn1C1CCCCC1)N
• InChI: InChI=1S/C10H17N3/c1-8-7-10(11)12-13(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,11,12)
• InChIKey: FVFCPUBBBIDWEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16845358
• PubChem SID: 164302909
• PubChem CID: 62677344

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1483054
• LogD (pH = 7.4): 2.1652489
• Log P: 2.1654694
• Molar Refractivity: 66.1392 cm^3
• Polarizability: 20.26493 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.772

Product Information

• Purity: 95%