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5-Chloro-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-ethylsulfanyl]-phenylamine

HCID 67974387
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1n[nH]c(C)c1CCSc1ccc(Cl)cc1N
InChIKey
GQAGSNRTHPRINU-UHFFFAOYSA-N
Molecular formula
C13H16ClN3S
Average molar mass
281.8 g/mol

Names & identifiers

Preferred name
5-Chloro-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-ethylsulfanyl]-phenylamine
IUPAC
5-chloro-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]aniline

Names & synonyms

SCHEMBL9938435GQAGSNRTHPRINU-UHFFFAOYSA-N5-Chloro-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-ethylsulfanyl]-phenylamine

Database identifiers

PubChem CID
67974387

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
80 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
267

Related reactions

4 records
New reaction record
HRID 70372 reaction equation
HRID 70372As productuspto-grants-2014_09
HRID 332164 reaction equation
HRID 332164As productuspto-grants-2014_11
HRID 520878 reaction equation
HRID 520878As productuspto-grants-2016_05
HRID 1631234 reaction equation
HRID 1631234As productuspto-grants-2014_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes