≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504771861 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771861 |
| Canonical Smiles | CC1=C(N(N=C1C(=O)N)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl |
| IUPAC Name | 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide |
| InChIKey | BBUKVPCUOHFAQN-UHFFFAOYSA-N |
| INCHI | 1S/C17H12Cl3N3O/c1-9-15(17(21)24)22-23(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,24) |
| Isomeric SMILES | CC1=C(N(N=C1C(=O)N)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl |
| Molecular Weight | 380.66 |
| Reaxy-Rn | 11858675 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11858675&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyrazole-5-carboxamides Dichlorobenzenes 2-heteroaryl carboxamides Aryl chlorides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2214288 | Certificate of Analysis | Oct 22, 2024 | A287160 |
| A2214289 | Certificate of Analysis | Oct 22, 2024 | A287160 |
| A2214293 | Certificate of Analysis | Oct 22, 2024 | A287160 |
| A2214296 | Certificate of Analysis | Oct 22, 2024 | A287160 |
| A2214297 | Certificate of Analysis | Oct 22, 2024 | A287160 |
| Solubility | ≤0.5mg/ml in ethanol;3mg/ml in DMSO;10mg/ml in dimethyl formamide |
|---|---|
| Molecular Weight | 380.700 g/mol |
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 379.005 Da |
| Monoisotopic Mass | 379.005 Da |
| Topological Polar Surface Area | 60.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 458.000 |
| 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 |
