(2e)-3-[5-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]but-2-enoic acid

HCID 69207641
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Basic information

Standard SMILES
C/C(=C\C(=O)O)c1cnn(C)c1-c1ccc(F)cc1
InChIKey
FEYBZHFZMVDHSR-VQHVLOKHSA-N
Molecular formula
C14H13FN2O2
Average molar mass
260.26 g/mol
Monoisotopic mass
260.09610582

Names & identifiers

Preferred name
(2e)-3-[5-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]but-2-enoic acid
IUPAC
(E)-3-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]but-2-enoic acid

Names & synonyms

SCHEMBL4831007FEYBZHFZMVDHSR-VQHVLOKHSA-N(2e)-3-[5-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]but-2-enoic acid

Database identifiers

PubChem CID
69207641

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
55.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19

Related reactions

1 records
New reaction record

Compound notes

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