5-Bromo-1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazole

HCID 57625541

Notes Reactions

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Basic information

Standard SMILES: Brc1ccc2c(cnn2CCN2CCCC2)c1
InChIKey: VLYFIBUVUYPTJF-UHFFFAOYSA-N
Molecular formula: C13H16BrN3
Average molar mass: 294.19 g/mol

Names & identifiers

Preferred name: 5-Bromo-1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazole
IUPAC: 5-bromo-1-(2-pyrrolidin-1-ylethyl)indazole

Names & synonyms

SCHEMBL385334VLYFIBUVUYPTJF-UHFFFAOYSA-NDB-1682755-Bromo-1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazole5-bromo-1-(2-pyrrolidin-1-yl-ethyl)-1H-indazole5-Bromo-1-[2-(1-pyrrolidinyl)ethyl]-1H-indazole690265-61-3

Database identifiers

PubChem CID: 57625541

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 21.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 255

Related reactions

11 records

New reaction record

HRID 112536As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 422073As reactantuspto-grants-2012_01

HRID 831703As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1916666As productuspto-grants-2013_12

HRID 2153488As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2326624As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2387473As productuspto-grants-2012_09

HRID 2387474As reactantuspto-grants-2012_09

Compound notes

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