methyl 5-(4-(1H-pyrazol-1-yl)benzyl)-2-formyl-4-methoxybenzoate

HCID 118468356
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Basic information

Standard SMILES
COC(=O)c1cc(Cc2ccc(-n3cccn3)cc2)c(OC)cc1C=O
InChIKey
BEBAWOLQHMXZLS-UHFFFAOYSA-N
Molecular formula
C20H18N2O4
Average molar mass
350.4 g/mol
Monoisotopic mass
350.12665706

Names & identifiers

Preferred name
methyl 5-(4-(1H-pyrazol-1-yl)benzyl)-2-formyl-4-methoxybenzoate
IUPAC
methyl 2-formyl-4-methoxy-5-[(4-pyrazol-1-ylphenyl)methyl]benzoate

Names & synonyms

SCHEMBL17201272BEBAWOLQHMXZLS-UHFFFAOYSA-Nmethyl 5-(4-(1H-pyrazol-1-yl)benzyl)-2-formyl-4-methoxybenzoate

Database identifiers

PubChem CID
118468356

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
70.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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