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· · COA & SDS available for every product · Same-day shipping on in-stock items (3-Methyl-pyrazol-1-yl)-(3,4,5-trimethoxy-phenyl)-methanone , CAS No.M668570
Synonyms
Oprea1_540013 | MLS001205420 | N-Benzoylpyrazole deriv., 17 | BDBM23709 | (3-Methyl-pyrazol-1-yl)-(3,4,5-trimethoxy-phenyl)-methanone | HMS2848O11 | STK119957 | AKOS000495473 | SMR000523627 | (3-methyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone | 3
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Oprea1_540013 | MLS001205420 | N-Benzoylpyrazole deriv., 17 | BDBM23709 | (3-Methyl-pyrazol-1-yl)-(3, 4, 5-trimethoxy-phenyl)-methanone | HMS2848O11 | STK119957 | AKOS000495473 | SMR000523627 | (3-methyl-1H-pyrazol-1-yl)(3, 4, 5-trimethoxyphenyl)methanone | 3
Product Properties Names and Identifiers Canonical Smiles CC1=NN(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC IUPAC Name (3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone InChIKey OYKZCMONWDBMLU-UHFFFAOYSA-N INCHI 1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3 Isomeric SMILES CC1=NN(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC PubChem CID 899247 Molecular Weight 276.29
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzoyl derivatives Intermediate Tree Nodes Benzoylpyrazoles Direct Parent N-benzoylpyrazoles Alternative Parents Benzoic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents N-benzoylpyrazole - Benzoic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azole - Heteroaromatic compound - Pyrazole - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as n-benzoylpyrazoles. These are aromatic heterocyclic compounds containing a pyrazole ring that is N-substituted at the 1-position by a benzoyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 276.290 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 276.111 Da Monoisotopic Mass 276.111 Da Topological Polar Surface Area 62.600 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 325.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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