[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-pyrazol-1-yl]-acetic acid tert-butyl ester

HCID 67201871
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Basic information

Standard SMILES
CC(C)(C)OC(=O)Cn1ccc(N2C(=O)c3ccccc3C2=O)n1
InChIKey
GMTHFKNTONPSRY-UHFFFAOYSA-N
Molecular formula
C17H17N3O4
Average molar mass
327.33 g/mol

Names & identifiers

Preferred name
[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-pyrazol-1-yl]-acetic acid tert-butyl ester
IUPAC
tert-butyl 2-[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]acetate

Names & synonyms

SCHEMBL1890432GMTHFKNTONPSRY-UHFFFAOYSA-N[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-pyrazol-1-yl]-acetic acid tert-butyl ester

Database identifiers

PubChem CID
67201871

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
81.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
24

Related reactions

4 records
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Compound notes

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