≥90% 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 | CCOC(=O)C1=C(N(N=C1C)C2=NC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C)C |
|---|---|
| IUPAC Name | ethyl 3,5-dimethyl-1-[5-[(4-methylphenyl)carbamoylamino]pyridin-2-yl]pyrazole-4-carboxylate |
| InChIKey | RVZFUUQGMQXGIQ-UHFFFAOYSA-N |
| INCHI | 1S/C21H23N5O3/c1-5-29-20(27)19-14(3)25-26(15(19)4)18-11-10-17(12-22-18)24-21(28)23-16-8-6-13(2)7-9-16/h6-12H,5H2,1-4H3,(H2,23,24,28) |
| Isomeric SMILES | CCOC(=O)C1=C(N(N=C1C)C2=NC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C)C |
| PubChem CID | 1477625 |
| Molecular Weight | 393.45 |
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 | Pyridines and derivatives |
| Subclass | Pyrazolylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolylpyridines |
| Alternative Parents | N-phenylureas Pyrazole carboxylic acids and derivatives Toluenes Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-pyrazolylpyridine - N-phenylurea - Pyrazole-4-carboxylic acid or derivatives - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Carboxylic acid ester - Carbonic acid derivative - Urea - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond. |
| External Descriptors | Not available |
| Molecular Weight | 393.400 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 393.18 Da |
| Monoisotopic Mass | 393.18 Da |
| Topological Polar Surface Area | 98.100 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 567.000 |
| 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 |
![ethyl 3,5-dimethyl-1-{5-[(4-toluidinocarbonyl)amino]-2-pyridinyl}-1H-pyrazole-4-carboxylate - ≥90% , CAS No.477712-91-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)