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≥98% 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=NC2=C(C(=NN2C(=C1)NCCN3CCOCC3)C)C4=CC=C(C=C4)Cl |
|---|---|
| IUPAC Name | 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine |
| InChIKey | UXTGVSCYQDIZAA-UHFFFAOYSA-N |
| INCHI | 1S/C20H24ClN5O/c1-14-13-18(22-7-8-25-9-11-27-12-10-25)26-20(23-14)19(15(2)24-26)16-3-5-17(21)6-4-16/h3-6,13,22H,7-12H2,1-2H3 |
| Molecular Weight | 385.9 |
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 | Pyrazolo[1,5-a]pyrimidines Secondary alkylarylamines Chlorobenzenes Aminopyrimidines and derivatives Morpholines Aryl chlorides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Oxazinane - Aryl chloride - Aryl halide - Benzenoid - Morpholine - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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 | 385.900 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 385.167 Da |
| Monoisotopic Mass | 385.167 Da |
| Topological Polar Surface Area | 54.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 469.000 |
| 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 |