4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid
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![4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6ca0b873140c43b1a52f262fa5061171.png "4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid")
4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid
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CAS No:
170571-01-4
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Formula:
C17H12F3N3O4S
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Chemical Name:
4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid
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Synonyms:
Benzoic acid,4-[1-[4-(aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]-;4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid
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CAS No:
4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid Basic Attributes
411.36
411.36
EQJ1364UKF
DTXSID40434744
Characteristics
124
4.68480
1.57±0.1 g/cm3(Predicted)
237-239°C
612.1±65.0 °C(Predicted)
324ºC
1.635
-20°C Freezer
0mmHg at 25°C
Drug Information
Carboxy celecoxib has known human metabolites that include (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoyl]oxyoxane-2-carboxylic acid.
SC-62807
4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid Use and Manufacturing
Celecoxib Carboxylic Acid is a metabolite of Celecoxib (C251000), a Cox-2 inhibitor.
Computed Properties
Molecular Weight:411.4
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:411.05006153
Monoisotopic Mass:411.05006153
Topological Polar Surface Area:124
Heavy Atom Count:28
Complexity:666
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid
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