for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OCCOC |
|---|---|
| IUPAC Name | 2-methoxyethyl 6-methyl-2-oxo-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate |
| InChIKey | SYZHPYYICPMYLD-UHFFFAOYSA-N |
| INCHI | 1S/C22H22N4O4S/c1-14-18(21(27)30-11-10-29-2)20(24-22(28)23-14)16-13-26(15-7-4-3-5-8-15)25-19(16)17-9-6-12-31-17/h3-9,12-13,20H,10-11H2,1-2H3,(H2,23,24,28) |
| Molecular Weight | 438.5 |
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 | Hydropyrimidine carboxylic acids and derivatives Pyrimidones Benzene and substituted derivatives Vinylogous amides Enoate esters Heteroaromatic compounds Thiophenes Ureas Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Hydropyrimidine carboxylic acid derivative - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiophene - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen 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 |
| Molecular Weight | 438.500 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 438.136 Da |
| Monoisotopic Mass | 438.136 Da |
| Topological Polar Surface Area | 123.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 697.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
