5,7-dichloro-2-methylpyrazolo[1,5-a]pyrimidine

• ChemBase ID: 294674
• Molecular Formular: C7H5Cl2N3
• Molecular Mass: 202.0407
• Monoisotopic Mass: 200.98605254
• SMILES: Cc1nn2c(Cl)cc(Cl)nc2c1
• Canonical SMILES: Clc1cc(Cl)n2c(n1)cc(n2)C
• InChI: InChI=1S/C7H5Cl2N3/c1-4-2-7-10-5(8)3-6(9)12(7)11-4/h2-3H,1H3
• InChIKey: GVBFQCRXNZJBFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichloro-2-methylpyrazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 5,7-dichloro-2-methylpyrazolo[1,5-a]pyrimidine
• Synonyms: 5,7-Dichloro-2-methylpyrazolo[1,5-a]pyrimidine

Database IDs

• CAS Number: 754211-02-4
• PubChem SID: 180680205
• PubChem CID: 49761534

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9274606
• LogD (pH = 7.4): 1.927618
• Log P: 1.9276199
• Molar Refractivity: 59.0371 cm^3
• Polarizability: 18.114515 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%