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· · COA & SDS available for every product · Same-day shipping on in-stock items ETHYL 5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE - ≥97% , CAS No.138907-68-3
Synonyms
OSM-S-243 | SMR000353810 | AMY12008 | MFCD00173917 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester | EN300-16283 | 4W-0244 | BB 0219132 | RPPPCKSHIYWAPW-UHFFFAOYSA-N | SCHEMBL1195022 | HMS559A10 | 5-amino-1-(4-fluoro-phenyl)-1h-p
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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
OSM-S-243 | SMR000353810 | AMY12008 | MFCD00173917 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester | EN300-16283 | 4W-0244 | BB 0219132 | RPPPCKSHIYWAPW-UHFFFAOYSA-N | SCHEMBL1195022 | HMS559A10 | 5-amino-1-(4-fluoro-phenyl)-1h-p
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488191128 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191128 Canonical Smiles CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)N IUPAC Name ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate InChIKey RPPPCKSHIYWAPW-UHFFFAOYSA-N INCHI 1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3 Isomeric SMILES CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)N Molecular Weight 249.247 Reaxy-Rn 10440805 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10440805&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 Class Azoles Subclass Pyrazoles Intermediate Tree Nodes Not available Direct Parent Phenylpyrazoles Alternative Parents Pyrazole carboxylic acids and derivatives Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpyrazole - Pyrazole-4-carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organohalogen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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 249.240 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 249.091 Da Monoisotopic Mass 249.091 Da Topological Polar Surface Area 70.100 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 295.000 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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