1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4methylthiophenyl)methyl]-1H-pyrazole

HCID 23545514
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(CC3CC3)c2C)cc1
InChIKey
MEUZMBRAOOEZKS-JPVHLGFFSA-N
Molecular formula
C22H30N2O6S
Average molar mass
450.6 g/mol
Monoisotopic mass
450.18245785

Names & identifiers

Preferred name
1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4methylthiophenyl)methyl]-1H-pyrazole
IUPAC
(2S,3R,4S,5S,6R)-2-[1-(cyclopropylmethyl)-5-methyl-4-[(4-methylsulfanylphenyl)methyl]pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Names & synonyms

SCHEMBL4362565MEUZMBRAOOEZKS-JPVHLGFFSA-N1-(cyclo-propylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4-methylthiophenyl)methyl]-1H-pyrazole1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4-methylthiophenyl)methyl]-1H-pyrazole1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4methylthiophenyl)methyl]-1H-pyrazole

Database identifiers

PubChem CID
23545514

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
143 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

Loading…