3,5-dimethyl-1H-pyrazole-1-carboximidamide nitrate

• ChemBase ID: 796713
• Molecular Formular: C6H10N5O3-
• Molecular Mass: 200.1753
• Monoisotopic Mass: 200.07836421
• SMILES: n1(nc(cc1C)C)C(=N)N.[N+](=O)([O-])[O-]
• Canonical SMILES: NC(=N)n1nc(cc1C)C.[O-][N+](=O)[O-]
• InChI: InChI=1S/C6H10N4.NO3/c1-4-3-5(2)10(9-4)6(7)8;2-1(3)4/h3H,1-2H3,(H3,7,8);/q;-1
• InChIKey: MIZCFULWBDXIJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethyl-1H-pyrazole-1-carboximidamide nitrate
• IUPAC Traditional name: 3,5-dimethylpyrazole-1-carboximidamide nitrate
• Synonyms: 3,5-DiMethylpyrazole-1-carboxaMidine nitrate

Database IDs

• CAS Number: 38184-47-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.692648
• LogD (pH = 7.4): -2.6323001
• Log P: -0.27801362
• Molar Refractivity: 60.6426 cm^3
• Polarizability: 14.371986 Å^3
• Polar Surface Area: 67.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%