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3Formylamino-5-trifluoromethylindazole-1-carboxylic acid dimethylamide

HCID 53697137
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)C(=O)n1nc(NC=O)c2cc(C(F)(F)F)ccc21
InChIKey
BRIWMSWFEWHDCS-UHFFFAOYSA-N
Molecular formula
C12H11F3N4O2
Average molar mass
300.24 g/mol

Names & identifiers

Preferred name
3Formylamino-5-trifluoromethylindazole-1-carboxylic acid dimethylamide
IUPAC
3-formamido-N,N-dimethyl-5-(trifluoromethyl)indazole-1-carboxamide

Names & synonyms

3formylamino-5-trifluoromethylindazole-1-carboxylic acid dimethylamideSCHEMBL11754795

Database identifiers

PubChem CID
53697137

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
21
Formal charge
0
Complexity
416

Related reactions

2 records
New reaction record
HRID 1566751 reaction equation
HRID 1566751As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2072419 reaction equation
HRID 2072419As productuspto-grants-1977_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes