N-(4-((4-methoxybenzyl)amino)-4-oxobutyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide CAS 956959-90-3
| CAS No. | 956959-90-3 |
| Molecular Formula | C18H21F3N4O3 |
| Molecular Weight | 398.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), N-(4-((4-methoxybenzyl)amino)-4-oxobutyl)-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.
N-(4-((4-methoxybenzyl)amino)-4-oxobutyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 956959-90-3), molecular formula C18H21F3N4O3 and molecular weight 398.38 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C18H21F3N4O3, N-(4-((4-methoxybenzyl)amino)-4-oxobutyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 398.38 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.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
Physical & Chemical Properties
| Molecular Formula | C18H21F3N4O3 |
| Molecular Weight | 398.38 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
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- Fluvoxamine Impurity 12 (CAS CATO-C4X-195112)
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- (2E)-1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (CAS 918495-89-3)
- (2-Chloro-5-fluoropyrimidin-4-yl)methanol (CAS 1463484-29-8)
- Ethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate (CAS 2304635-56-9)
- (S)-tert-Butyl (1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamate (CAS 62549-92-2)
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- 3,3-Dichloroquinoline-2,4(1H,3H)-dione (CAS 14944-78-6)
- Tau Peptide (294-305) (human) trifluoroacetate salt (CAS 1428135-29-8)
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