4-Methyl-3-oxo-2-(4-pyrazol-1-ylbenzyl)pentanoic acid ethyl ester

HCID 67457652
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Basic information

Standard SMILES
CCOC(=O)C(Cc1ccc(-n2cccn2)cc1)C(=O)C(C)C
InChIKey
UXFKVCQVMPHYRF-UHFFFAOYSA-N
Molecular formula
C18H22N2O3
Average molar mass
314.4 g/mol
Monoisotopic mass
314.16304257

Names & identifiers

Preferred name
4-Methyl-3-oxo-2-(4-pyrazol-1-ylbenzyl)pentanoic acid ethyl ester
IUPAC
ethyl 4-methyl-3-oxo-2-[(4-pyrazol-1-ylphenyl)methyl]pentanoate

Names & synonyms

SCHEMBL2573180UXFKVCQVMPHYRF-UHFFFAOYSA-N4-methyl-3-oxo-2-(4-pyrazol-1-ylbenzyl)pentanoic acid ethyl ester

Database identifiers

PubChem CID
67457652

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
61.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
23

Related reactions

7 records
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Compound notes

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