1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid structure

1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Also Known As: 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid|Maybridge1_003788|HMS552E04|KS-00001SBG|1-phenyl-5-trifluoromethyl-1h-pyrazole-4-carboxylic acid|GK 01493|5-chloro-2,4-difluorobenzenesulfonyl chloride|C-5714|1-Phenyl-5-trifluoromethylpyrazole-4-carboxylic acid|11R-1154

CAS: 98534-81-7
Molecular Formula C11H7F3N2O2
Molecular Weight 256.04596 g/mol
LogP 2.3
Topological Polar Surface Area 55.1 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 2
Exact Mass 256.04596
Monoisotopic Mass 256.04596
Heavy Atoms 18
Complexity 316.0

Chemical Identifiers

CAS Number 98534-81-7
SMILES C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F
InChIKey SMPJBTIFNUUWGQ-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (1 patents) Heterocyclic Building Blocks (35 patents) Organic Building Blocks (3 patents) Pharmaceutical Intermediates (31 patents)

Product Overview

1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 98534-81-7), with molecular formula C11H7F3N2O2 and molecular weight 256.04596 g/mol. IUPAC: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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