1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole
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Basic information
- CAS
590400-01-4- Standard SMILES
Cc1cc(C)n(C(=O)COc2ccc(Br)cc2C)n1- InChIKey
PYGZNXMGSSCNBQ-UHFFFAOYSA-N- Molecular formula
- C14H15BrN2O2
- Average molar mass
- 323.18 g/mol
- Monoisotopic mass
- 322.03169
Names & identifiers
- Preferred name
- 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole
- IUPAC
- 2-(4-bromo-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
- English name
- 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole
- Molecular formula
- C14H15BrN2O2
- Molecular weight
- 323.19
Names & synonyms
1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole2-(4-bromo-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanoneSTK037979AKOS000494591EU-0082450AG-690/13704390SR-01000085200SR-01000085200-12-(4-bromo-2-methylphenoxy)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone4-bromo-2-methylphenyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl ether2-(4-BROMO-2-METHYLPHENOXY)-1-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)ETHAN-1-ONEEthanone, 2-(4-bromo-2-methylphenoxy)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-
Database identifiers
- CAS
590400-01-4- PubChem CID
- 748165
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
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Compound notes
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