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Compound
1-Trityl-4-ethoxymethylpyrazole
HCID
68528513
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOCc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIKey
DTTIVGRQTWBOOJ-UHFFFAOYSA-N
Molecular formula
C25H24N2O
Average molar mass
368.5 g/mol
Names & identifiers
Preferred name
1-Trityl-4-ethoxymethylpyrazole
IUPAC
4-(ethoxymethyl)-1-tritylpyrazole
Names & synonyms
SCHEMBL3146778
1-trityl-4-ethoxymethylpyrazole
DTTIVGRQTWBOOJ-UHFFFAOYSA-N
Database identifiers
PubChem CID
68528513
Properties
Computed structural properties
XLogP
5
Topological polar surface area
27.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
28
Formal charge
0
Complexity
404
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Related reactions
8 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
98008
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
386345
As product
uspto-grants-2013_02
HRID
386346
As reactant
uspto-grants-2013_02
HRID
570074
As product
uspto-grants-2015_05
HRID
570075
As reactant
uspto-grants-2015_05
HRID
1429294
As product
uspto-grants-2015_01
HRID
1429295
As reactant
uspto-grants-2015_01
HRID
1545554
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes
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