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 | CC(C)(C)C1=NN2C(=CC(=NC2=C1)C(=O)N(CCN(C)C)CC3=CC=CC=C3)C4=CC=C(C=C4)F |
|---|---|
| IUPAC Name | N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide |
| InChIKey | GMFHHCFJJZWFBW-UHFFFAOYSA-N |
| INCHI | 1S/C28H32FN5O/c1-28(2,3)25-18-26-30-23(17-24(34(26)31-25)21-11-13-22(29)14-12-21)27(35)33(16-15-32(4)5)19-20-9-7-6-8-10-20/h6-14,17-18H,15-16,19H2,1-5H3 |
| Molecular Weight | 473.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | Pyrimidinecarboxamides Pyrazolo[1,5-a]pyrimidines 2-heteroaryl carboxamides Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidinecarboxamide - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Tertiary carboxylic acid amide - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 473.600 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 473.259 Da |
| Monoisotopic Mass | 473.259 Da |
| Topological Polar Surface Area | 53.700 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 683.000 |
| 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 |
![N-[2-(Dimethylamino)ethyl]-2-(1,1-dimethylethyl)-7-(4-fluorophenyl)-N-(phenylmethyl)-pyrazolo[1,5-a]pyrimidine-5-carboxamide - CAS No(1314206-29-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/1/N1240517.jpg)