1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine

• ChemBase ID: 240242
• Molecular Formular: C8H11N5
• Molecular Mass: 177.20644
• Monoisotopic Mass: 177.10144538
• SMILES: c1(nn(c(c1)N)C)c1n(ccn1)C
• Canonical SMILES: Nc1cc(nn1C)c1nccn1C
• InChI: InChI=1S/C8H11N5/c1-12-4-3-10-8(12)6-5-7(9)13(2)11-6/h3-5H,9H2,1-2H3
• InChIKey: JDOZOTRVLBIFTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-methyl-5-(1-methylimidazol-2-yl)pyrazol-3-amine
• Synonyms: 1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD20716426
• PubChem SID: 164296152
• PubChem CID: 13861132

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.06522682
• LogD (pH = 7.4): 0.17564699
• Log P: 0.17729755
• Molar Refractivity: 71.4962 cm^3
• Polarizability: 18.8845 Å^3
• Polar Surface Area: 61.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.278

Product Information

• Purity: 95%