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

• ChemBase ID: 307332
• Molecular Formular: C10H10FN3
• Molecular Mass: 191.2049032
• Monoisotopic Mass: 191.08587556
• SMILES: n1(c(ccn1)N)Cc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)Cn1nccc1N
• InChI: InChI=1S/C10H10FN3/c11-9-3-1-2-8(6-9)7-14-10(12)4-5-13-14/h1-6H,7,12H2
• InChIKey: VDDFCXBMNZEGCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-fluorophenyl)methyl]-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-[(3-fluorophenyl)methyl]pyrazol-3-amine
• Synonyms: 1-(3-fluorobenzyl)-1H-pyrazol-5-amine

Database IDs

• CAS Number: 1015845-94-9
• MDL Number: MFCD08691578

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5252498
• LogD (pH = 7.4): 1.5286031
• Log P: 1.528646
• Molar Refractivity: 63.7441 cm^3
• Polarizability: 19.29488 Å^3
• Polar Surface Area: 43.84 Å^2