1-Benzyl-5-oxo-1,4,5,6-tetrahydro-cyclopentapyrazole-3-carboxylic acid tert-butyl ester

HCID 58713645
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Basic information

Standard SMILES
CC(C)(C)OC(=O)c1nn(Cc2ccccc2)c2c1CC(=O)C2
InChIKey
BVAAHGJWZWLAOS-UHFFFAOYSA-N
Molecular formula
C18H20N2O3
Average molar mass
312.4 g/mol
Monoisotopic mass
312.1473925

Names & identifiers

Preferred name
1-Benzyl-5-oxo-1,4,5,6-tetrahydro-cyclopentapyrazole-3-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 1-benzyl-5-oxo-4,6-dihydrocyclopenta[d]pyrazole-3-carboxylate

Names & synonyms

SCHEMBL5527466BVAAHGJWZWLAOS-UHFFFAOYSA-N1-Benzyl-5-oxo-1,4,5,6-tetrahydro-cyclopentapyrazole-3-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
58713645

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
61.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
23

Related reactions

1 records
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Compound notes

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