≥96% 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=CC=C(C=C1)[C@H](C)N2C(=CC(=N2)C3=CC(=CC(=C3)Cl)Cl)C4=CC5=C(C=C4)C=C(C=C5)OC |
|---|---|
| IUPAC Name | ethyl 4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoate |
| InChIKey | VXHYCIQLCNSEFY-IBGZPJMESA-N |
| INCHI | 1S/C31H26Cl2N2O3/c1-4-38-31(36)21-7-5-20(6-8-21)19(2)35-30(18-29(34-35)25-14-26(32)17-27(33)15-25)24-10-9-23-16-28(37-3)12-11-22(23)13-24/h5-19H,4H2,1-3H3/t19-/m0/s1 |
| Molecular Weight | 545.5 |
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 | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Naphthalenes Benzoic acid esters Dichlorobenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Benzoate ester - Naphthalene - Benzoic acid or derivatives - Phenol ether - Benzoyl - Anisole - 1,3-dichlorobenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic 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 | 545.500 g/mol |
|---|---|
| XLogP3 | 8.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 544.132 Da |
| Monoisotopic Mass | 544.132 Da |
| Topological Polar Surface Area | 53.400 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 768.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
