2-(1H-pyrazol-1-yl)-4-(trifluoromethyl)pyrimidine

• Catalog: OFC1227955103
• CAS: 1227955-10-3
• Category: Fluorinated Pyrimidines
• Synonyms: 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine
• MDL Number: MFCD12756232

• IUPAC Name: 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C8H5F3N4/c9-8(10,11)6-2-4-12-7(14-6)15-5-1-3-13-15/h1-5H
• InChI Key: YLOOJFWYOHKASQ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CN(N=C1)C2=NC=CC(=N2)C(F)(F)F

• Molecular Formula: C8H5F3N4
• Molecular Weight: 214.15

• XLogP3-AA: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 214.04663066 g/mol
• Monoisotopic Mass: 214.04663066 g/mol
• Topological Polar Surface Area: 43.6Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 220