4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-hydroxyphenyl acetate

HCID 86703263
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Basic information

Standard SMILES
CC(=O)Oc1ccc(-n2nc(C)cc2C)c(O)c1
InChIKey
LGBAXHLMOSOUMB-UHFFFAOYSA-N
Molecular formula
C13H14N2O3
Average molar mass
246.26 g/mol
Monoisotopic mass
246.10044231

Names & identifiers

Preferred name
4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-hydroxyphenyl acetate
IUPAC
[4-(3,5-dimethylpyrazol-1-yl)-3-hydroxyphenyl] acetate

Names & synonyms

SCHEMBL15443213LGBAXHLMOSOUMB-UHFFFAOYSA-N4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-hydroxyphenyl acetate

Database identifiers

PubChem CID
86703263

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
64.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

1 records
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Compound notes

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