4-(4-Bromo-3,5-dimethylphenyl)-1-methyl-1H-pyrazole

HCID 86697136
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Basic information

Standard SMILES
Cc1cc(-c2cnn(C)c2)cc(C)c1Br
InChIKey
KOSZZGRNDJMGLQ-UHFFFAOYSA-N
Molecular formula
C12H13BrN2
Average molar mass
265.15 g/mol
Monoisotopic mass
264.02621

Names & identifiers

Preferred name
4-(4-Bromo-3,5-dimethylphenyl)-1-methyl-1H-pyrazole
IUPAC
4-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole

Names & synonyms

4-(4-Bromo-3,5-dimethylphenyl)-1-methyl-1H-pyrazoleSCHEMBL15262189KOSZZGRNDJMGLQ-UHFFFAOYSA-NDB-1663501458652-91-9

Database identifiers

PubChem CID
86697136

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
17.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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