3-(3-fluorophenyl)-1-methyl-1H-pyrazol-5-amine

• ChemBase ID: 810768
• Molecular Formular: C10H10FN3
• Molecular Mass: 191.2049032
• Monoisotopic Mass: 191.08587556
• SMILES: Nc1n(nc(c1)c1cc(ccc1)F)C
• Canonical SMILES: Fc1cccc(c1)c1cc(n(n1)C)N
• InChI: InChI=1S/C10H10FN3/c1-14-10(12)6-9(13-14)7-3-2-4-8(11)5-7/h2-6H,12H2,1H3
• InChIKey: AFTMXNDQOIMHQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-fluorophenyl)-1-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 5-(3-fluorophenyl)-2-methylpyrazol-3-amine
• Synonyms: 5-(3-FLUORO-PHENYL)-2-METHYL-2H-PYRAZOL-3-YLAMINE

Database IDs

• CAS Number: 1017781-28-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8342041
• LogD (pH = 7.4): 1.83721
• Log P: 1.8372486
• Molar Refractivity: 63.8957 cm^3
• Polarizability: 20.625362 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%