5-(Benzylthio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide CAS 321553-38-2
| CAS No. | 321553-38-2 |
| Molecular Formula | C20H18F3N3O2S |
| Molecular Weight | 421.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 421.44 g/mol gives 5-(Benzylthio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-(Benzylthio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321553-38-2), molecular formula C20H18F3N3O2S and molecular weight 421.44 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C20H18F3N3O2S, 5-(Benzylthio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 421.44 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 5-(Benzylthio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C20H18F3N3O2S |
| Molecular Weight | 421.44 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Benzylthio Standards
- 3-(Benzylthio)-1-(4-bromophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CAS 439096-60-3)
- 2-((Benzylthio)methyl)-7-chloro-3-(3,5-dimethylphenyl)quinazolin-4(3H)-one (CAS 338966-11-3)
- 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(3-chloro-4-methylphenyl)acetamide (CAS 573943-43-8)
- 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-chloro-2-methylphenyl)acetamide (CAS 618432-04-5)
- 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 477329-80-9)
- 4-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 477330-31-7)
- 6-((5-(Benzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)methoxy)-2-phenylpyridazin-3(2H)-one (CAS 439121-28-5)
- 6-(Benzylthio)-2-(6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one (CAS 90302-12-8)
Recommended Standards
- 3-Amino-N-(4-methoxybenzyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 664999-46-6)
- TRIF agonist AV-C (CAS 620589-62-0)
- 3-Amino-N-(4-(trifluoromethoxy)phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 445382-70-7)
- Hyzetimibe (CAS 1266548-74-6)
- 3-(3-Aminophenyl)-N,N-dimethylpropanamide dihydrochloride (CAS 1268991-01-0)
- 1-[4-(1H-tetrazol-1-yl)benzoyl]piperazine hydrochloride (CAS 1170474-58-4)
- 2-Methylstyrene (CAS 611-15-4)
- Nonane-1,9-diyl diacrylate (CAS 107481-28-7)
- (2S,5R)-1-(tert-Butoxycarbonyl)-5-tert-butylpyrrolidine-2-carboxylicacid (CAS 185142-15-8)
- 1,3-Bis(4-methoxyphenyl)-2-propylpropane-1,3-dione (CAS 263717-49-3)
- 1-(3-Chloro-2-methylphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol (CAS 1142212-23-4)
- methyl cis-3-(methylamino)cyclobutanecarboxylate;hydrochloride (CAS 1989638-36-9)
- 1-(4-Benzyloxyphenyl)pyridin-2(1H)-one 1-[4-(Phenylmethoxy)phenyl]-2(1H)-pyridinone 1076199-03-5 (CAS 1076199-03-5)
- 551936-17-5 3JX85UOO24 AIM-102 UNII-3JX85UOO24 (4R)-4-(((2R)-2-Amino-3-cyclohexyl-propanoyl)amino)-5-(carboxymethylamino)-5-oxo-pentanoic acid D-Cyclohexylalanine-D-glutamic-glycine tripeptide Glycine, 3-cyclohexyl-D-alanyl-D-alpha-glutamyl- (CAS 551936-17-5)
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