1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-pyrazol-3-amine

• ChemBase ID: 265948
• Molecular Formular: C11H11N5
• Molecular Mass: 213.23854
• Monoisotopic Mass: 213.10144538
• SMILES: n1c(cn2c1cccc2)Cn1nc(cc1)N
• Canonical SMILES: Nc1ccn(n1)Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C11H11N5/c12-10-4-6-16(14-10)8-9-7-15-5-2-1-3-11(15)13-9/h1-7H,8H2,(H2,12,14)
• InChIKey: NQDWFNFRWKNNEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-pyrazol-3-amine
• IUPAC Traditional name: 1-{imidazo[1,2-a]pyridin-2-ylmethyl}pyrazol-3-amine
• Synonyms: 1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-pyrazol-3-amine

Database IDs

• MDL Number: MFCD12149388
• PubChem SID: 164321858
• PubChem CID: 47002552

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.21739478
• LogD (pH = 7.4): 0.74469346
• Log P: 0.75888604
• Molar Refractivity: 73.9441 cm^3
• Polarizability: 22.579193 Å^3
• Polar Surface Area: 61.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 0.694

Product Information

• Purity: 95%