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1-Trityl-4-ethoxymethylpyrazole

HCID 68528513
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

SCHEMBL31467781-trityl-4-ethoxymethylpyrazoleDTTIVGRQTWBOOJ-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

Related reactions

8 records
New reaction record
HRID 98008 reaction equation
HRID 98008As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 386345 reaction equation
HRID 386345As productuspto-grants-2013_02
HRID 386346 reaction equation
HRID 386346As reactantuspto-grants-2013_02
HRID 570074 reaction equation
HRID 570074As productuspto-grants-2015_05
HRID 570075 reaction equation
HRID 570075As reactantuspto-grants-2015_05
HRID 1429294 reaction equation
HRID 1429294As productuspto-grants-2015_01
HRID 1429295 reaction equation
HRID 1429295As reactantuspto-grants-2015_01
HRID 1545554 reaction equation
HRID 1545554As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes