ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

• ChemBase ID: 112935
• Molecular Formular: C10H12N4O2
• Molecular Mass: 220.22788
• Monoisotopic Mass: 220.09602564
• SMILES: n12c(c(cnc1cc(n2)C)C(=O)OCC)N
• Canonical SMILES: CCOC(=O)c1cnc2n(c1N)nc(c2)C
• InChI: InChI=1S/C10H12N4O2/c1-3-16-10(15)7-5-12-8-4-6(2)13-14(8)9(7)11/h4-5H,3,11H2,1-2H3
• InChIKey: UQUFOQMTNQTGIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
• IUPAC Traditional name: ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
• Synonyms: ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

Database IDs

• CAS Number: 2627-58-9
• MDL Number: MFCD03069208
• PubChem SID: 162098275
• PubChem CID: 1089239

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0546637
• LogD (pH = 7.4): 1.0549886
• Log P: 1.0549928
• Molar Refractivity: 69.0927 cm^3
• Polarizability: 21.611593 Å^3
• Polar Surface Area: 82.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192 - 194 °C
• Hydrophobicity(logP): 2.247

Product Information

• Purity: >97%; 95%