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

• ChemBase ID: 122129
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1n(c(cc1N)C)CCCC
• Canonical SMILES: Cc1cc(nn1CCCC)N
• InChI: InChI=1S/C8H15N3/c1-3-4-5-11-7(2)6-8(9)10-11/h6H,3-5H2,1-2H3,(H2,9,10)
• InChIKey: KQLIWCNXWHHVSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162216482
• PubChem CID: 7176030

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6715229
• LogD (pH = 7.4): 1.6898589
• Log P: 1.6900978
• Molar Refractivity: 58.9986 cm^3
• Polarizability: 17.310406 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true