1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-amine

• ChemBase ID: 307414
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: n1c(cc(n1C)N)c1ncccc1
• Canonical SMILES: Nc1cc(nn1C)c1ccccn1
• InChI: InChI=1S/C9H10N4/c1-13-9(10)6-8(12-13)7-4-2-3-5-11-7/h2-6H,10H2,1H3
• InChIKey: KUVAOFOJAQWKJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-methyl-5-(pyridin-2-yl)pyrazol-3-amine
• Synonyms: 1-methyl-3-pyridin-2-yl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 92406-50-3
• MDL Number: MFCD08059967

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8622242
• LogD (pH = 7.4): 0.8627182
• Log P: 0.86272454
• Molar Refractivity: 61.1504 cm^3
• Polarizability: 20.102188 Å^3
• Polar Surface Area: 56.73 Å^2