1-[5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl]ethan-1-amine

• ChemBase ID: 826661
• Molecular Formular: C11H14N4
• Molecular Mass: 202.25566
• Monoisotopic Mass: 202.12184647
• SMILES: n1(c(c(cn1)C(N)C)C)c1ncccc1
• Canonical SMILES: CC(c1cnn(c1C)c1ccccn1)N
• InChI: InChI=1S/C11H14N4/c1-8(12)10-7-14-15(9(10)2)11-5-3-4-6-13-11/h3-8H,12H2,1-2H3
• InChIKey: OGRPHIGFGXFUOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl]ethan-1-amine
• IUPAC Traditional name: 1-[5-methyl-1-(pyridin-2-yl)pyrazol-4-yl]ethanamine
• Synonyms: 1-(5-methyl-1-pyridin-2-yl-1H-pyrazol-4-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7841985
• LogD (pH = 7.4): -0.67992765
• Log P: 1.1777542
• Molar Refractivity: 60.6182 cm^3
• Polarizability: 22.807106 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.3
• LOG S: -0.78
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 2