for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OCCOC |
|---|---|
| IUPAC Name | 2-methoxyethyl 4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate |
| InChIKey | UMWBOTVUSAMJQW-UHFFFAOYSA-N |
| INCHI | 1S/C24H23ClN4O4/c1-15-20(23(30)33-13-12-32-2)22(27-24(31)26-15)19-14-29(18-6-4-3-5-7-18)28-21(19)16-8-10-17(25)11-9-16/h3-11,14,22H,12-13H2,1-2H3,(H2,26,27,31) |
| Molecular Weight | 466.900 |
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 Chlorobenzenes Aryl chlorides Vinylogous amides Enoate esters Heteroaromatic compounds Ureas Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organochlorides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Hydropyrimidine carboxylic acid derivative - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carbonic acid derivative - Carboxylic acid ester - Urea - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Carbonyl group - Organohalogen 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 | 466.900 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 466.141 Da |
| Monoisotopic Mass | 466.141 Da |
| Topological Polar Surface Area | 94.500 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 734.000 |
| 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 |
![2-methoxyethyl 4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate - CAS No(383898-33-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/9/M949227.jpg)