1-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-amine

• ChemBase ID: 241407
• Molecular Formular: C10H10FN3
• Molecular Mass: 191.2049032
• Monoisotopic Mass: 191.08587556
• SMILES: n1(ncc(c1C)N)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1n1ncc(c1C)N
• InChI: InChI=1S/C10H10FN3/c1-7-9(12)6-13-14(7)10-5-3-2-4-8(10)11/h2-6H,12H2,1H3
• InChIKey: NZWQYZBRRBDBQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-(2-fluorophenyl)-5-methylpyrazol-4-amine
• Synonyms: 1-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD16042722
• PubChem SID: 164297317
• PubChem CID: 60866835

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.572361
• LogD (pH = 7.4): 1.5724012
• Log P: 1.5724016
• Molar Refractivity: 54.4862 cm^3
• Polarizability: 19.964857 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.859

Product Information

• Purity: 95%