1-butyl-5-methyl-1H-pyrazol-4-amine

• ChemBase ID: 241557
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1n(c(c(c1)N)C)CCCC
• Canonical SMILES: Cc1c(N)cnn1CCCC
• InChI: InChI=1S/C8H15N3/c1-3-4-5-11-7(2)8(9)6-10-11/h6H,3-5,9H2,1-2H3
• InChIKey: BTHRHWILEKHFKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-5-methyl-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-butyl-5-methylpyrazol-4-amine
• Synonyms: 1-butyl-5-methyl-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD06805447
• PubChem SID: 164297467
• PubChem CID: 19620093

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0955473
• LogD (pH = 7.4): 1.0956391
• Log P: 1.0956403
• Molar Refractivity: 58.6851 cm^3
• Polarizability: 17.318241 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.278

Product Information

• Purity: 95%