(Z)-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide

• ChemBase ID: 250433
• Molecular Formular: C18H18N4
• Molecular Mass: 290.36232
• Monoisotopic Mass: 290.1531466
• SMILES: c1(n(nc(c1)C)c1ccccc1)/N=C(/c1ccccc1)\NC
• Canonical SMILES: CN/C(=N\c1cc(nn1c1ccccc1)C)/c1ccccc1
• InChI: InChI=1S/C18H18N4/c1-14-13-17(22(21-14)16-11-7-4-8-12-16)20-18(19-2)15-9-5-3-6-10-15/h3-13H,1-2H3,(H,19,20)
• InChIKey: LJYWZTSETXGNEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
• IUPAC Traditional name: (Z)-N-methyl-N'-(5-methyl-2-phenylpyrazol-3-yl)benzene-1-carboximidamide
• Synonyms: N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenecarboximidamide

Database IDs

• MDL Number: MFCD02708505
• PubChem SID: 164306343
• PubChem CID: 2322839

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7665685
• LogD (pH = 7.4): 2.43992
• Log P: 3.5269005
• Molar Refractivity: 90.9852 cm^3
• Polarizability: 34.32204 Å^3
• Polar Surface Area: 42.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.714

Product Information

• Purity: 95%