6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-3-carboximidamide dihydrochloride

• ChemBase ID: 266040
• Molecular Formular: C11H15Cl2N5
• Molecular Mass: 288.1763
• Monoisotopic Mass: 287.07045087
• SMILES: n1(nc(cc1C)C)c1ncc(C(=N)N)cc1.Cl.Cl
• Canonical SMILES: Cc1nn(c(c1)C)c1ccc(cn1)C(=N)N.Cl.Cl
• InChI: InChI=1S/C11H13N5.2ClH/c1-7-5-8(2)16(15-7)10-4-3-9(6-14-10)11(12)13;;/h3-6H,1-2H3,(H3,12,13);2*1H
• InChIKey: OEZRLTFNNUKHNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-3-carboximidamide dihydrochloride
• IUPAC Traditional name: 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide dihydrochloride
• Synonyms: 6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-3-carboximidamide dihydrochloride

Database IDs

• MDL Number: MFCD14705833
• PubChem SID: 164321950
• PubChem CID: 47002494

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.728401
• LogD (pH = 7.4): -1.6992964
• Log P: 0.68724936
• Molar Refractivity: 73.99 cm^3
• Polarizability: 23.056162 Å^3
• Polar Surface Area: 80.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 275 - 277°C
• Hydrophobicity(logP): 0.649

Product Information

• Purity: 95%