Completing data — usually done within a minute
Basic information
- CAS
749927-85-3- Standard SMILES
CC(=O)n1nc(C)c(I)c1C- InChIKey
CGFUBILWMLNFTH-UHFFFAOYSA-N- Molecular formula
- C7H9IN2O
- Average molar mass
- 264.06 g/mol
- Monoisotopic mass
- 263.97596091
Names & identifiers
- Preferred name
- 1-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethanone
- IUPAC
- 1-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanone
Names & synonyms
749927-85-31-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethanone1-(4-Iodo-3,5-dimethyl-pyrazol-1-yl)-ethanone1-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one1-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanoneSCHEMBL3985184DTXSID60703686CGFUBILWMLNFTH-UHFFFAOYSA-NMFCD09910110N-acetyl-3,5-dimethyl-4-iodopyrazole1-(4-iodo-3,5-dimethyl-pyrazol-1-yl)ethanoneA1-43518
Database identifiers
- CAS
749927-85-3- PubChem CID
- 53471580
- DTXSID
DTXSID60703686
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Related reactions
3 records
Compound notes
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