≥97% 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 | CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3N2)N |
|---|---|
| IUPAC Name | ethyl 5-amino-1-(1H-benzimidazol-2-yl)pyrazole-4-carboxylate |
| InChIKey | PNXCBMYVHBEZGP-UHFFFAOYSA-N |
| INCHI | 1S/C13H13N5O2/c1-2-20-12(19)8-7-15-18(11(8)14)13-16-9-5-3-4-6-10(9)17-13/h3-7H,2,14H2,1H3,(H,16,17) |
| Isomeric SMILES | CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3N2)N |
| PubChem CID | 3119940 |
| Molecular Weight | 271.28 |
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 | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Pyrazole carboxylic acids and derivatives Benzenoids Vinylogous amides Imidazoles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Pyrazole-4-carboxylic acid or derivatives - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Pyrazole - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
| Molecular Weight | 271.270 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 271.107 Da |
| Monoisotopic Mass | 271.107 Da |
| Topological Polar Surface Area | 98.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 367.000 |
| 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 |
