≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1=CC(=CC=C1C2=C(C(=NN2)N)C#N)Cl |
|---|---|
| IUPAC Name | 3-amino-5-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile |
| InChIKey | DWFJNGUSRCQFDM-UHFFFAOYSA-N |
| INCHI | 1S/C10H7ClN4/c11-7-3-1-6(2-4-7)9-8(5-12)10(13)15-14-9/h1-4H,(H3,13,14,15) |
| Isomeric SMILES | C1=CC(=CC=C1C2=C(C(=NN2)N)C#N)Cl |
| PubChem CID | 2776122 |
| Molecular Weight | 218.65 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Chlorobenzenes Imidolactams Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Primary amine - 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 | 218.640 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 218.036 Da |
| Monoisotopic Mass | 218.036 Da |
| Topological Polar Surface Area | 78.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| 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 |
