2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-4-carboximidamide hydrochloride

• ChemBase ID: 265474
• Molecular Formular: C11H14ClN5
• Molecular Mass: 251.71536
• Monoisotopic Mass: 251.09377315
• SMILES: n1(nc(cc1C)C)c1cc(C(=N)N)ccn1.Cl
• Canonical SMILES: Cc1nn(c(c1)C)c1nccc(c1)C(=N)N.Cl
• InChI: InChI=1S/C11H13N5.ClH/c1-7-5-8(2)16(15-7)10-6-9(11(12)13)3-4-14-10;/h3-6H,1-2H3,(H3,12,13);1H
• InChIKey: MYMBIBRORZSZQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-4-carboximidamide hydrochloride
• IUPAC Traditional name: 2-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide hydrochloride
• Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-4-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD14705763
• PubChem SID: 164321384
• PubChem CID: 47002415

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7281251
• LogD (pH = 7.4): -1.6755533
• Log P: 0.68724936
• Molar Refractivity: 73.99 cm^3
• Polarizability: 23.056286 Å^3
• Polar Surface Area: 80.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): 0.649

Product Information

• Purity: 95%