≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1=C(C2=NC(=CC(=O)N2N1)C(F)(F)F)C#N |
|---|---|
| IUPAC Name | 2-methyl-7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| InChIKey | HMTDWJAVHBJLRV-UHFFFAOYSA-N |
| INCHI | 1S/C9H5F3N4O/c1-4-5(3-13)8-14-6(9(10,11)12)2-7(17)16(8)15-4/h2,15H,1H3 |
| Isomeric SMILES | CC1=C(C2=NC(=CC(=O)N2N1)C(F)(F)F)C#N |
| PubChem CID | 45588051 |
| Molecular Weight | 242.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolopyrimidines |
| Subclass | Pyrazolo[1,5-a]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[1,5-a]pyrimidines |
| Alternative Parents | Pyrimidones Pyrazoles Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[1,5-a]pyrimidine - Pyrimidone - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Lactam - Carbonitrile - Nitrile - Azacycle - Cyanide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 242.160 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 0 |
| Exact Mass | 242.042 Da |
| Monoisotopic Mass | 242.042 Da |
| Topological Polar Surface Area | 68.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 546.000 |
| 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 |
![7-Hydroxy-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile - ≥95% , CAS No.1198475-25-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)