4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)-2-methoxybenzoic acid

HCID 71253166
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Basic information

Standard SMILES
COc1cc(-n2nc(C(C)(C)C)cc2N)ccc1C(=O)O
InChIKey
XCPSPOGYXFNPMY-UHFFFAOYSA-N
Molecular formula
C15H19N3O3
Average molar mass
289.33 g/mol
Monoisotopic mass
289.14264148

Names & identifiers

Preferred name
4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)-2-methoxybenzoic acid
IUPAC
4-(5-amino-3-tert-butylpyrazol-1-yl)-2-methoxybenzoic acid

Names & synonyms

SCHEMBL14688114XCPSPOGYXFNPMY-UHFFFAOYSA-N4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)-2-methoxybenzoic acid

Database identifiers

PubChem CID
71253166

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
90.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

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