1-(3-bromo-phenyl)-3,5-bis-methoxymethyl-1H-pyrazole-4-carboxylic acid methyl ester

HCID 67314720
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Basic information

Standard SMILES
COCc1nn(-c2cccc(Br)c2)c(COC)c1C(=O)OC
InChIKey
CKTLXYDDMAXTGY-UHFFFAOYSA-N
Molecular formula
C15H17BrN2O4
Average molar mass
369.21 g/mol

Names & identifiers

Preferred name
1-(3-bromo-phenyl)-3,5-bis-methoxymethyl-1H-pyrazole-4-carboxylic acid methyl ester
IUPAC
methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate

Names & synonyms

SCHEMBL2200279CKTLXYDDMAXTGY-UHFFFAOYSA-N1-(3-bromo-phenyl)-3,5-bis-methoxymethyl-1H-pyrazole-4-carboxylic acid methyl ester

Database identifiers

PubChem CID
67314720

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
62.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
22

Related reactions

3 records
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Compound notes

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