4-[1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid | CAS No. 170571-01-4

4-[1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid

Basic Information

CAS Number

170571-01-4

Molecular Formula

C17H12F3N3O4S

Molecular Weight

411.36 g/mol

AD

Basic Physical Properties

Melting Point

237-239°C

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)

InChIKey

WTHNOVFEXONZMI-UHFFFAOYSA-N

LogP

2.9037000000000006

Topological Polar Surface Area

115.27999999999999 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

666

Synonyms & References

English

  • CHEMBL743
  • FT-0664445
  • DTXSID40434744
  • 4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoic Acid
  • NS00040586
  • BDBM50057540
  • 4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid
  • J-010632
  • EQJ1364UKF
  • Q27277309
  • AS-6154
  • 170571-01-4
  • A905939
  • CHEBI:176769
  • SCHEMBL6342903
  • Celecoxib metabolite M2
  • Celecoxib Carboxylic Acid (4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic Acid)
  • Benzoic acid,4-[1-[4-(aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
  • 4-[2-(4-sulamoylphenyl)-5-(triluoromethyl)pyrazol-3-yl]benzoic acid
  • CARBOXYLIC ACID METABOLITE OF CELECOXIB
  • Celecoxib Carboxylic Acid
  • UNII-EQJ1364UKF
  • 4-(1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid
  • AKOS030255951
  • 4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic Acid; Celecoxib Carboxylic Acid
  • 4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-benzoic acid
  • Carboxylic acid celecoxib
  • 4-[1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid
  • Celebrex Carboxylic Acid
  • BCP33283
  • 4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic Acid

MDL Number

MFCD09840210

FAQ

What is 4-[1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid (CAS: 170571-01-4)?

4-[1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid (CAS: 170571-01-4) is a chemical compound with a complex structure that includes an aromatic ring and a pyrazole moiety. It has a molecular formula of C17H11F3N5O3S and exhibits properties typical of organic acids.

What are the main uses of 4-[1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid (CAS: 170571-01-4)?

4-[1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid (CAS: 170571-01-4) is primarily used as an intermediate in the synthesis of pharmaceuticals and other chemical compounds. It may also find applications in research and development for its unique chemical properties.

Is 4-[1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid (CAS: 170571-01-4) safe?

4-[1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid (CAS: 170571-01-4) is generally considered safe when handled with appropriate precautions. However, it is important to follow safety guidelines, such as wearing protective gloves and goggles, and ensuring proper ventilation during handling and synthesis.

How should 4-[1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid (CAS: 170571-01-4) be stored?

4-[1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid (CAS: 170571-01-4) should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation. Storage at temperatures below 25°C is recommended for optimal stability.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...