Dimethyl 1-trityl-3,5-pyrazoledicarboxylate

HCID 12377531
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Basic information

Standard SMILES
COC(=O)c1cc(C(=O)OC)n(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIKey
MZAFLBCRRFLKIZ-UHFFFAOYSA-N
Molecular formula
C26H22N2O4
Average molar mass
426.5 g/mol

Names & identifiers

Preferred name
Dimethyl 1-trityl-3,5-pyrazoledicarboxylate
IUPAC
dimethyl 1-tritylpyrazole-3,5-dicarboxylate

Names & synonyms

SCHEMBL3156953MZAFLBCRRFLKIZ-UHFFFAOYSA-NDimethyl 1-trityl-3,5-pyrazoledicarboxylate1-Triphenylmethyl-3,5-pyrazoledicarboxylic acid, dimethyl ester

Database identifiers

PubChem CID
12377531

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
70.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
32

Related reactions

10 records
New reaction record

Linked notes

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Dimethyl 1-trityl-3,5-pyrazoledicarboxylate (HCID 12377531)｜Huagongshe