1-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethanone

HCID 53471580

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

Related reactions

3 records

Compound notes

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