5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl chloride

• ChemBase ID: 18373
• Molecular Formular: C11H7ClF3N3O
• Molecular Mass: 289.6409896
• Monoisotopic Mass: 289.0229742
• SMILES: n12c(cc(nc1cc(n2)C(=O)Cl)C1CC1)C(F)(F)F
• Canonical SMILES: ClC(=O)c1nn2c(c1)nc(cc2C(F)(F)F)C1CC1
• InChI: InChI=1S/C11H7ClF3N3O/c12-10(19)7-4-9-16-6(5-1-2-5)3-8(11(13,14)15)18(9)17-7/h3-5H,1-2H2
• InChIKey: WZQIFXLAPFZVPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl chloride
• IUPAC Traditional name: 5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl chloride
• Synonyms: 5-Cyclopropyl-7-trifluoromethyl-pyrazolo-[1,5-a]pyrimidine-2-carbonyl chloride

Database IDs

• MDL Number: MFCD04967295
• PubChem SID: 160981680
• PubChem CID: 6485418

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9387512
• LogD (pH = 7.4): 2.9387515
• Log P: 2.9387515
• Molar Refractivity: 72.3582 cm^3
• Polarizability: 22.33657 Å^3
• Polar Surface Area: 47.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false