4-(chloromethyl)-1-isopropyl-5-(trifluoromethyl)-1H-pyrazole
Basic information
- Standard SMILES
CC(C)n1ncc(CCl)c1C(F)(F)F- InChIKey
QAALPMZYGXEYBZ-UHFFFAOYSA-N- Molecular formula
- C8H10ClF3N2
- Average molar mass
- 226.62 g/mol
- Monoisotopic mass
- 226.0484605
Names & identifiers
- Preferred name
- 4-(chloromethyl)-1-isopropyl-5-(trifluoromethyl)-1H-pyrazole
- IUPAC
- 4-(chloromethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole
Names & synonyms
4-(chloromethyl)-1-isopropyl-5-(trifluoromethyl)-1H-pyrazoleSCHEMBL12984939AKOS015781827DB-1286204-(chloromethyl)-5-(trifluoromethyl)-1-isopropyl-1H-pyrazole
Database identifiers
- PubChem CID
- 66436634
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
4 records
Compound notes
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