1-methyl-1H-pyrazole-4-carboximidamide hydrochloride

• ChemBase ID: 285897
• Molecular Formular: C5H9ClN4
• Molecular Mass: 160.60476
• Monoisotopic Mass: 160.05157399
• SMILES: c1(cn(nc1)C)C(=N)N.Cl
• Canonical SMILES: Cn1ncc(c1)C(=N)N.Cl
• InChI: InChI=1S/C5H8N4.ClH/c1-9-3-4(2-8-9)5(6)7;/h2-3H,1H3,(H3,6,7);1H
• InChIKey: NZLCYPRBEKQCPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-pyrazole-4-carboximidamide hydrochloride
• IUPAC Traditional name: 1-methylpyrazole-4-carboximidamide hydrochloride
• Synonyms: 1-methyl-1H-pyrazole-4-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD19300156
• PubChem SID: 180671428
• PubChem CID: 71695528

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0828145
• LogD (pH = 7.4): -2.6117449
• Log P: -0.67842567
• Molar Refractivity: 56.6339 cm^3
• Polarizability: 12.609625 Å^3
• Polar Surface Area: 67.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): -0.964

Product Information

• Purity: 95%