2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

• ChemBase ID: 254811
• Molecular Formular: C8H6F3N3
• Molecular Mass: 201.1485496
• Monoisotopic Mass: 201.05138187
• SMILES: n12c(C(F)(F)F)ccnc1cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nccc2C(F)(F)F
• InChI: InChI=1S/C8H6F3N3/c1-5-4-7-12-3-2-6(8(9,10)11)14(7)13-5/h2-4H,1H3
• InChIKey: MQKKJVKNIYOZEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09863384
• PubChem SID: 164310721
• PubChem CID: 12031639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5819802
• LogD (pH = 7.4): 1.5821897
• Log P: 1.5821924
• Molar Refractivity: 54.2163 cm^3
• Polarizability: 15.466007 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.056

Product Information

• Purity: 95%