for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl)/C#N |
|---|---|
| IUPAC Name | (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide |
| InChIKey | SRAFPBCBBXARPY-NBVRZTHBSA-N |
| INCHI | 1S/C25H19ClN4O3/c1-16-23(25(32)30(29(16)2)20-6-4-3-5-7-20)28-24(31)18(15-27)14-21-12-13-22(33-21)17-8-10-19(26)11-9-17/h3-14H,1-2H3,(H,28,31)/b18-14+ |
| Peso molecular | 458.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | N-arylamides Chlorobenzenes Aryl chlorides Pyrazolones Vinylogous amides Furans Heteroaromatic compounds Lactams Secondary carboxylic acid amides Nitriles Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Furan - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 458.900 g/mol |
|---|---|
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 458.115 Da |
| Monoisotopic Mass | 458.115 Da |
| Topological Polar Surface Area | 89.600 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 877.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide , CAS No.1164525-42-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)