4-[(4-ethoxyphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-5-methyl-1H-pyrazole
Basic information
- Standard SMILES
CCOc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1- InChIKey
KRPHSDWUPQNDLM-ILYVXUQDSA-N- Molecular formula
- C19H26N2O7
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- 4-[(4-ethoxyphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-5-methyl-1H-pyrazole
- IUPAC
- (2S,3R,4S,5S,6R)-2-[[4-[(4-ethoxyphenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
CHEMBL3923809SCHEMBL2253777KRPHSDWUPQNDLM-ILYVXUQDSA-NBDBM505595244-[(4-ethoxy-phenyl)methyl]-3-(beta-D-glucopyranosyloxy)-5-methyl-1H-pyrazole4-[(4-ethoxyphenyl)-methyl]-5-methyl-3-(beta-D-glucopyranosyloxy)-1H-pyrazole4-[(4-ethoxyphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-5-methyl-1H-pyrazole4-[(4-ethoxyphenyl)methyl]-5-methyl-3-(beta-D-glucopyranosyloxy)-1H-pyrazole
Database identifiers
- PubChem CID
- 9843576
- ChEMBL
CHEMBL3923809
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 477
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Related reactions
8 records
Compound notes
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