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

• ChemBase ID: 251064
• Molecular Formular: C20H20N4
• Molecular Mass: 316.3996
• Monoisotopic Mass: 316.16879666
• SMILES: c1(n(nc(c1)C)c1ccccc1)/N=C(\NC1CC1)/c1ccccc1
• Canonical SMILES: Cc1cc(n(n1)c1ccccc1)/N=C(/c1ccccc1)\NC1CC1
• InChI: InChI=1S/C20H20N4/c1-15-14-19(24(23-15)18-10-6-3-7-11-18)22-20(21-17-12-13-17)16-8-4-2-5-9-16/h2-11,14,17H,12-13H2,1H3,(H,21,22)
• InChIKey: DJHFIUQDNXTTGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02709346
• PubChem SID: 164306974
• PubChem CID: 2324488

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2344491
• LogD (pH = 7.4): 2.9381566
• Log P: 3.992465
• Molar Refractivity: 98.1964 cm^3
• Polarizability: 37.274963 Å^3
• Polar Surface Area: 42.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.07

Product Information

• Purity: 95%