3-(beta-D-glucopyranosyloxy)-4-[(4-iso-propoxyphenyl)methyl]-5-methyl-1H-pyrazole

HCID 9801558

Basic information

Standard SMILES
Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(OC(C)C)cc1
InChIKey
YQFYTOQBHMPXFY-NUABRCLCSA-N
Molecular formula
C20H28N2O7
Average molar mass
408.4 g/mol

Names & identifiers

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

Names & synonyms

CHEMBL3960449SCHEMBL2252648YQFYTOQBHMPXFY-NUABRCLCSA-NBDBM505595223-(beta-D-glucopyranosyloxy)-4-[(4-iso-propoxyphenyl)methyl]-5-methyl-1H-pyrazole3-(beta-D-glucopyranosyloxy)-4-[(4-isopropoxyphenyl)-methyl]-5-methyl-1H-pyrazole3-(beta-D-glucopyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-5-methyl-1H-pyrazole

Database identifiers

PubChem CID
9801558
ChEMBL
CHEMBL3960449

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
137 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
29

Related reactions

25 records

Linked notes

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