4-Chloro-1-(diethylcarbamoyl)-3-(2-ethyl-6-methylphenylsulfonyl)-5-methylthiopyrazole

HCID 19931846
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Basic information

Standard SMILES
CCc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(CC)CC)c(SC)c1Cl
InChIKey
YPTMCSZDOXYNKO-UHFFFAOYSA-N
Molecular formula
C18H24ClN3O3S2
Average molar mass
430 g/mol

Names & identifiers

Preferred name
4-Chloro-1-(diethylcarbamoyl)-3-(2-ethyl-6-methylphenylsulfonyl)-5-methylthiopyrazole
IUPAC
4-chloro-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-5-methylsulfanylpyrazole-1-carboxamide

Names & synonyms

SCHEMBL8782270YPTMCSZDOXYNKO-UHFFFAOYSA-N4-Chloro-1-(diethylcarbamoyl)-3-(2-ethyl-6-methylphenylsulfonyl)-5-methylthiopyrazole

Database identifiers

PubChem CID
19931846

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
106 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27

Related reactions

2 records
New reaction record

Linked notes

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