1-Methyl-3-thien-2-yl-5-(trifluoromethyl)-1h-pyrazole

• Catalog: OFC650615648
• CAS: 650615-64-8
• Category: Fluorinated Thiophenes
• Synonyms: 1-Methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole
• MDL Number: MFCD02089760

• IUPAC Name: 1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole
• InChI: InChI=1S/C9H7F3N2S/c1-14-8(9(10,11)12)5-6(13-14)7-3-2-4-15-7/h2-5H,1H3
• InChI Key: XFKJHEOGGKXEHH-UHFFFAOYSA-N
• Isomeric SMILES: CN1C(=CC(=N1)C2=CC=CS2)C(F)(F)F

• Molecular Formula: C9H7F3N2S
• Molecular Weight: 232.23

• XLogP3-AA: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 232.02820389 g/mol
• Monoisotopic Mass: 232.02820389 g/mol
• Topological Polar Surface Area: 46.1Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 234