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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid - ≥98% , CAS No.905589-98-2
Synonyms
Z57044268 | DTXSID601331234 | NUMFTJJYFCUIDI-UHFFFAOYSA-N | HMS2731I11 | AKOS005198758 | 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid | EN300-11420 | MLS001002735 | WAY-638861 | 1-benzyl-3-phenylpyrazole-4-carboxylic acid | SMR000369195 | MFCD06364990
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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.
Overview FXR inhibitor; diacylglycerol acyltransferase inhibitor;
Specifications Synonyms
Z57044268 | DTXSID601331234 | NUMFTJJYFCUIDI-UHFFFAOYSA-N | HMS2731I11 | AKOS005198758 | 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid | EN300-11420 | MLS001002735 | WAY-638861 | 1-benzyl-3-phenylpyrazole-4-carboxylic acid | SMR000369195 | MFCD06364990
Specifications & Purity
≥98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties ALogP 3.64 Rotatable Bond 4
Names and Identifiers Pubchem Sid 488192143 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488192143 Canonical Smiles C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C(=O)O IUPAC Name 1-benzyl-3-phenylpyrazole-4-carboxylic acid InChIKey NUMFTJJYFCUIDI-UHFFFAOYSA-N INCHI 1S/C17H14N2O2/c20-17(21)15-12-19(11-13-7-3-1-4-8-13)18-16(15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,21) Isomeric SMILES C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C(=O)O PubChem CID 2566102 Molecular Weight 278.31
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 Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpyrazole - Pyrazole-4-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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 DMSO(mM) Max Solubility 10 Molecular Weight 278.300 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 278.106 Da Monoisotopic Mass 278.106 Da Topological Polar Surface Area 55.100 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 349.000 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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