1-Methyl-3-bromo-5-(4-trifluoromethylphenyl)pyrazole
Basic information
- Standard SMILES
Cn1nc(Br)cc1-c1ccc(C(F)(F)F)cc1- InChIKey
WRLJMYRKYUWZML-UHFFFAOYSA-N- Molecular formula
- C11H8BrF3N2
- Average molar mass
- 305.09 g/mol
- Monoisotopic mass
- 303.9823
Names & identifiers
- Preferred name
- 1-Methyl-3-bromo-5-(4-trifluoromethylphenyl)pyrazole
- IUPAC
- 3-bromo-1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazole
Names & synonyms
1-methyl-3-bromo-5-(4-trifluoromethylphenyl)pyrazoleSCHEMBL4044421
Database identifiers
- PubChem CID
- 22147992
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
3 records
Compound notes
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