1-(2-Benzoyl-4-nitrophenyl)-3,5-pyrazole dicarboxylic acid dimethyl ester

HCID 12377873
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Basic information

Standard SMILES
COC(=O)c1cc(C(=O)OC)n(-c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1
InChIKey
KHRBYRBLOKFGMK-UHFFFAOYSA-N
Molecular formula
C20H15N3O7
Average molar mass
409.3 g/mol
Monoisotopic mass
409.09099983

Names & identifiers

Preferred name
1-(2-Benzoyl-4-nitrophenyl)-3,5-pyrazole dicarboxylic acid dimethyl ester
IUPAC
dimethyl 1-(2-benzoyl-4-nitrophenyl)pyrazole-3,5-dicarboxylate

Names & synonyms

SCHEMBL11524608KHRBYRBLOKFGMK-UHFFFAOYSA-N1-(2-Benzoyl-4-nitrophenyl)-3,5-pyrazole dicarboxylic acid dimethyl ester

Database identifiers

PubChem CID
12377873

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
133 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
30

Related reactions

3 records
New reaction record

Compound notes

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