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

HCID 69133847
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Basic information

Standard SMILES
Cc1c(Cc2ccc(OC(C)C)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1CC1CC1
InChIKey
JOEMDSHMBCGZHY-AREVGRJGSA-N
Molecular formula
C24H34N2O7
Average molar mass
462.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL4661965JOEMDSHMBCGZHY-AREVGRJGSA-N1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-5-methyl-1H-pyrazole

Database identifiers

PubChem CID
69133847

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
126 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
33

Related reactions

6 records
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Linked notes

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