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

• ChemBase ID: 307339
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: c1(c(cnn1CCCC)C)N
• Canonical SMILES: CCCCn1ncc(c1N)C
• InChI: InChI=1S/C8H15N3/c1-3-4-5-11-8(9)7(2)6-10-11/h6H,3-5,9H2,1-2H3
• InChIKey: WLSUBAQIYOSKAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-4-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-butyl-4-methylpyrazol-3-amine
• Synonyms: 1-butyl-4-methyl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 3524-51-4
• MDL Number: MFCD08059944

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.49411
• LogD (pH = 7.4): 1.4987321
• Log P: 1.4987913
• Molar Refractivity: 57.8299 cm^3
• Polarizability: 17.317535 Å^3
• Polar Surface Area: 43.84 Å^2