(4-fluorophenyl)(1-methyl-1H-pyrazol-3-yl)methanamine

• ChemBase ID: 246766
• Molecular Formular: C11H12FN3
• Molecular Mass: 205.2314832
• Monoisotopic Mass: 205.10152562
• SMILES: c1(nn(cc1)C)C(c1ccc(cc1)F)N
• Canonical SMILES: Fc1ccc(cc1)C(c1ccn(n1)C)N
• InChI: InChI=1S/C11H12FN3/c1-15-7-6-10(14-15)11(13)8-2-4-9(12)5-3-8/h2-7,11H,13H2,1H3
• InChIKey: RFROTZNQHGIQJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(1-methyl-1H-pyrazol-3-yl)methanamine
• IUPAC Traditional name: (4-fluorophenyl)(1-methylpyrazol-3-yl)methanamine
• Synonyms: (4-fluorophenyl)(1-methyl-1H-pyrazol-3-yl)methanamine

Database IDs

• MDL Number: MFCD21180008
• PubChem SID: 164302676
• PubChem CID: 65200359

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.63342327
• LogD (pH = 7.4): 1.0599391
• Log P: 1.6874776
• Molar Refractivity: 67.4869 cm^3
• Polarizability: 21.50628 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.7

Product Information

• Purity: 95%