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· · COA & SDS available for every product · Same-day shipping on in-stock items methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate , CAS No.890006-20-9
Synonyms
methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate | MLS000066006 | SMR000079439 | BDBM44413 | cid_5498390 | OKFMGDVQFVYLLV-UHFFFAOYSA-N | HMS2310F21 | methyl (5Z)-5-indol-3-ylidene-1,2-dihydropyrazole-3-carboxylate | MFCD05686654 | STK392431 | AKOS000271
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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
methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate | MLS000066006 | SMR000079439 | BDBM44413 | cid_5498390 | OKFMGDVQFVYLLV-UHFFFAOYSA-N | HMS2310F21 | methyl (5Z)-5-indol-3-ylidene-1, 2-dihydropyrazole-3-carboxylate | MFCD05686654 | STK392431 | AKOS000271
Product Properties Names and Identifiers Canonical Smiles COC(=O)C1=CC(=NN1)C2=CNC3=CC=CC=C32 IUPAC Name methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate InChIKey OKFMGDVQFVYLLV-UHFFFAOYSA-N INCHI 1S/C13H11N3O2/c1-18-13(17)12-6-11(15-16-12)9-7-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,15,16) Isomeric SMILES COC(=O)C1=CC(=NN1)C2=CNC3=CC=CC=C32 PubChem CID 1265037 Molecular Weight 241.24
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 Class Indoles and derivatives Subclass Indoles Intermediate Tree Nodes Not available Direct Parent Indoles Alternative Parents Pyrazole carboxylic acids and derivatives Substituted pyrroles Benzenoids Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Indole - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Azole - Pyrazole - Pyrrole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. 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 241.240 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 241.085 Da Monoisotopic Mass 241.085 Da Topological Polar Surface Area 70.800 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 323.000 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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