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(2-amino-5-bromo-pyridin-3-yl)-(2-ethyl-2H-pyrazol-3-yl)-methanone

HCID 57731574
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCn1nccc1C(=O)c1cc(Br)cnc1N
InChIKey
ZOMOFRZZUCMQJG-UHFFFAOYSA-N
Molecular formula
C11H11BrN4O
Average molar mass
295.14 g/mol

Names & identifiers

Preferred name
(2-amino-5-bromo-pyridin-3-yl)-(2-ethyl-2H-pyrazol-3-yl)-methanone
IUPAC
(2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone

Names & synonyms

SCHEMBL3568274ZOMOFRZZUCMQJG-UHFFFAOYSA-NDB-372187(2-Amino-5-bromo-3-pyridinyl)(1-ethyl-1H-pyrazol-5-yl)methanone(2-amino-5-bromo-pyridin-3-yl)-(2-ethyl-2H-pyrazol-3-yl)-methanone1070978-67-4

Database identifiers

PubChem CID
57731574

Properties

Computed structural properties

XLogP
2
Topological polar surface area
73.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
289

Related reactions

3 records
New reaction record
HRID 1212912 reaction equation
HRID 1212912As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2234666 reaction equation
HRID 2234666As productuspto-grants-2010_05
HRID 2234667 reaction equation
HRID 2234667As reactantuspto-grants-2010_05

Compound notes

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