1-(3,5-difluorophenyl)-3-methyl-1H-pyrazol-5-amine

• ChemBase ID: 124532
• Molecular Formular: C10H9F2N3
• Molecular Mass: 209.1953664
• Monoisotopic Mass: 209.07645374
• SMILES: n1(c(cc(n1)C)N)c1cc(cc(c1)F)F
• Canonical SMILES: Fc1cc(F)cc(c1)n1nc(cc1N)C
• InChI: InChI=1S/C10H9F2N3/c1-6-2-10(13)15(14-6)9-4-7(11)3-8(12)5-9/h2-5H,13H2,1H3
• InChIKey: AZUXSDNKBBJXSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-difluorophenyl)-3-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-(3,5-difluorophenyl)-5-methylpyrazol-3-amine
• Synonyms: 1-(3,5-difluorophenyl)-3-methyl-1H-pyrazol-5-amine

Database IDs

• PubChem SID: 162218885
• PubChem CID: 51049099

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7244556
• LogD (pH = 7.4): 1.7360536
• Log P: 1.7362034
• Molar Refractivity: 53.3977 cm^3
• Polarizability: 19.683289 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true