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

• ChemBase ID: 239073
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1n(c(cc1C1CCC1)N)C
• Canonical SMILES: Nc1cc(nn1C)C1CCC1
• InChI: InChI=1S/C8H13N3/c1-11-8(9)5-7(10-11)6-3-2-4-6/h5-6H,2-4,9H2,1H3
• InChIKey: JFBWXYNOWMHUAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclobutyl-1-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 5-cyclobutyl-2-methylpyrazol-3-amine
• Synonyms: 3-cyclobutyl-1-methyl-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD11209669
• PubChem SID: 164294983
• PubChem CID: 13324828

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0005583
• LogD (pH = 7.4): 1.0169923
• Log P: 1.017206
• Molar Refractivity: 55.5068 cm^3
• Polarizability: 16.587578 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.744

Product Information

• Purity: 95%