1-(3-Bromo-phenyl)-3,5-diethyl-1H-pyrazole-4-carboxylic acid methyl ester

HCID 67313992
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Basic information

Standard SMILES
CCc1nn(-c2cccc(Br)c2)c(CC)c1C(=O)OC
InChIKey
HGZDJHVIWMLJTR-UHFFFAOYSA-N
Molecular formula
C15H17BrN2O2
Average molar mass
337.21 g/mol

Names & identifiers

Preferred name
1-(3-Bromo-phenyl)-3,5-diethyl-1H-pyrazole-4-carboxylic acid methyl ester
IUPAC
methyl 1-(3-bromophenyl)-3,5-diethylpyrazole-4-carboxylate

Names & synonyms

SCHEMBL2198150HGZDJHVIWMLJTR-UHFFFAOYSA-N1-(3-Bromo-phenyl)-3,5-diethyl-1H-pyrazole-4-carboxylic acid methyl ester

Database identifiers

PubChem CID
67313992

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20

Related reactions

5 records
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Compound notes

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