≥97% 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.
| Canonical Smiles | CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=CC=CC(=C3)N |
|---|---|
| IUPAC Name | 1-[2-(3-aminophenyl)-5-tert-butylpyrazol-3-yl]-3-(2,3-dichlorophenyl)urea |
| InChIKey | LDXAGTHPWDVZFU-UHFFFAOYSA-N |
| INCHI | 1S/C20H21Cl2N5O/c1-20(2,3)16-11-17(27(26-16)13-7-4-6-12(23)10-13)25-19(28)24-15-9-5-8-14(21)18(15)22/h4-11H,23H2,1-3H3,(H2,24,25,28) |
| Molecular Weight | 418.300 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | N-phenylureas Dichlorobenzenes Aniline and substituted anilines Aryl chlorides Heteroaromatic compounds Ureas Azacyclic compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - N-phenylurea - 1,2-dichlorobenzene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Urea - Azacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - 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 |
| Molecular Weight | 418.300 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 417.112 Da |
| Monoisotopic Mass | 417.112 Da |
| Topological Polar Surface Area | 85.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 543.000 |
| 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 |
![3-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-1-(2,3-dichlorophenyl)urea - ≥97% , CAS No.227622-98-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)