(Z)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide

• ChemBase ID: 265315
• Molecular Formular: C11H13N5O
• Molecular Mass: 231.25382
• Monoisotopic Mass: 231.11201006
• SMILES: n1(nc(cc1C)C)c1ncc(/C(=N/O)/N)cc1
• Canonical SMILES: O/N=C(/c1ccc(nc1)n1nc(cc1C)C)\N
• InChI: InChI=1S/C11H13N5O/c1-7-5-8(2)16(14-7)10-4-3-9(6-13-10)11(12)15-17/h3-6,17H,1-2H3,(H2,12,15)
• InChIKey: BZGWXSZIIUZJIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide
• IUPAC Traditional name: (Z)-6-(3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide
• Synonyms: 6-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide

Database IDs

• MDL Number: MFCD09931869
• PubChem SID: 164321225
• PubChem CID: 24693459

CALCULATED PROPERTIES

• Acid pKa: 11.714955
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6390689
• LogD (pH = 7.4): 0.68344957
• Log P: 0.68406767
• Molar Refractivity: 65.3397 cm^3
• Polarizability: 23.765205 Å^3
• Polar Surface Area: 89.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 0.537

Product Information

• Purity: 95%