3-bromo-2,5-dimethyl-7-(propan-2-yl)pyrazolo[1,5-a]pyrimidine

• ChemBase ID: 289026
• Molecular Formular: C11H14BrN3
• Molecular Mass: 268.15296
• Monoisotopic Mass: 267.03710946
• SMILES: Cc1nc2c(Br)c(C)nn2c(C(C)C)c1
• Canonical SMILES: Cc1cc(C(C)C)n2c(n1)c(Br)c(n2)C
• InChI: InChI=1S/C11H14BrN3/c1-6(2)9-5-7(3)13-11-10(12)8(4)14-15(9)11/h5-6H,1-4H3
• InChIKey: WFLPQSMSHXLKRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2,5-dimethyl-7-(propan-2-yl)pyrazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 3-bromo-7-isopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
• Synonyms: 3-Bromo-7-isopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine

Database IDs

• CAS Number: 1263282-81-0
• MDL Number: MFCD12924856
• PubChem SID: 180674557
• PubChem CID: 46835543

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.771437
• LogD (pH = 7.4): 2.771521
• Log P: 2.771522
• Molar Refractivity: 74.7247 cm^3
• Polarizability: 24.167303 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%