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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3,5-Dimethyl-1-(4-pyridinylcarbonyl)-1H-pyrazole , CAS No.42329-05-5
Synonyms
3,5-Dimethyl-1-(4-pyridinylcarbonyl)-1H-pyrazole | 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)- | (3,5-dimethyl-1H-pyrazol-1-yl)(pyridin-4-yl)methanone | MLS000029407 | (3,5-Dimethyl-pyrazol-1-yl)-pyridin-4-yl-methanone | SMR000012020 | BRN 0167950
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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 Sinónimos
3, 5-Dimethyl-1-(4-pyridinylcarbonyl)-1H-pyrazole | 1H-Pyrazole, 3, 5-dimethyl-1-(4-pyridinylcarbonyl)- | (3, 5-dimethyl-1H-pyrazol-1-yl)(pyridin-4-yl)methanone | MLS000029407 | (3, 5-Dimethyl-pyrazol-1-yl)-pyridin-4-yl-methanone | SMR000012020 | BRN 0167950
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas CC1=CC(=NN1C(=O)C2=CC=NC=C2)C IUPAC Name (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone InChIKey VXESXFNPRURVHH-UHFFFAOYSA-N INCHI 1S/C11H11N3O/c1-8-7-9(2)14(13-8)11(15)10-3-5-12-6-4-10/h3-7H,1-2H3 Isómeros SMILES CC1=CC(=NN1C(=O)C2=CC=NC=C2)C Peso molecular 201.22 Reaxy-Rn 167950 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=167950&ln=
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 Organoheterocyclic compounds Clase Pyridines and derivatives Subclass Pyridinecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyridinecarboxylic acids and derivatives Alternative Parents Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyridine carboxylic acid or derivatives - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof. 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 201.220 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 201.09 Da Monoisotopic Mass 201.09 Da Topological Polar Surface Area 47.800 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 238.000 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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