1-cyclohexyl-3,5-dimethyl-1H-pyrazol-4-amine

• ChemBase ID: 241809
• Molecular Formular: C11H19N3
• Molecular Mass: 193.28866
• Monoisotopic Mass: 193.15789762
• SMILES: n1(nc(c(c1C)N)C)C1CCCCC1
• Canonical SMILES: Cc1nn(c(c1N)C)C1CCCCC1
• InChI: InChI=1S/C11H19N3/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h10H,3-7,12H2,1-2H3
• InChIKey: WJBNSDMDLXOOEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-3,5-dimethyl-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-cyclohexyl-3,5-dimethylpyrazol-4-amine
• Synonyms: 1-cyclohexyl-3,5-dimethyl-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD11167610
• PubChem SID: 164297719
• PubChem CID: 20312868

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7014397
• LogD (pH = 7.4): 1.70237
• Log P: 1.702382
• Molar Refractivity: 70.4172 cm^3
• Polarizability: 22.034504 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 1.941

Product Information

• Purity: 95%