5-tert-Butyl-2-p-tolyl-2H-pyrazole-3-carboxylic acid ethyl ester

HCID 57418554
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Basic information

Standard SMILES
CCOC(=O)c1cc(C(C)(C)C)nn1-c1ccc(C)cc1
InChIKey
AJZLFZDHAZLNGS-UHFFFAOYSA-N
Molecular formula
C17H22N2O2
Average molar mass
286.37 g/mol

Names & identifiers

Preferred name
5-tert-Butyl-2-p-tolyl-2H-pyrazole-3-carboxylic acid ethyl ester
IUPAC
ethyl 3-tert-butyl-1-(4-methylphenyl)pyrazole-5-carboxylate

Names & synonyms

SCHEMBL1517048AJZLFZDHAZLNGS-UHFFFAOYSA-N5-tert-Butyl-2-p-tolyl-2H-pyrazole-3-carboxylic acid ethyl ester

Database identifiers

PubChem CID
57418554

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
21

Related reactions

11 records
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Compound notes

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