[2-[3,5-bis(Acetoxymethyl)pyrazol-1-yl]-5-nitrophenyl]phenyl methanone

HCID 12377536
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Basic information

Standard SMILES
CC(=O)OCc1cc(COC(C)=O)n(-c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1
InChIKey
QKBBDRSWQWDTBF-UHFFFAOYSA-N
Molecular formula
C22H19N3O7
Average molar mass
437.4 g/mol

Names & identifiers

Preferred name
[2-[3,5-bis(Acetoxymethyl)pyrazol-1-yl]-5-nitrophenyl]phenyl methanone
IUPAC
[3-(acetyloxymethyl)-1-(2-benzoyl-4-nitrophenyl)pyrazol-5-yl]methyl acetate

Names & synonyms

SCHEMBL11527070QKBBDRSWQWDTBF-UHFFFAOYSA-N[2-[3,5-bis(Acetoxymethyl)pyrazol-1-yl]-5-nitrophenyl]phenyl methanone

Database identifiers

PubChem CID
12377536

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
133 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
32

Related reactions

4 records
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Compound notes

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