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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=NN2C(=C(C=NC2=C1C3=CC(=CC=C3)C(F)(F)F)C#N)N |
|---|---|
| IUPAC Name | 7-amino-2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile |
| InChIKey | FGMPVSLWIIHBQU-UHFFFAOYSA-N |
| INCHI | 1S/C15H10F3N5/c1-8-12(9-3-2-4-11(5-9)15(16,17)18)14-21-7-10(6-19)13(20)23(14)22-8/h2-5,7H,20H2,1H3 |
| Isomeric SMILES | CC1=NN2C(=C(C=NC2=C1C3=CC(=CC=C3)C(F)(F)F)C#N)N |
| PubChem CID | 2783020 |
| Molecular Weight | 317.28 |
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 | Trifluoromethylbenzenes Pyrazolo[1,5-a]pyrimidines Aminopyrimidines and derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Trifluoromethylbenzene - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Alkyl halide - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Amine - 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 |
| Melt Point(°C) | 230-232 |
|---|---|
| Molecular Weight | 317.270 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 317.089 Da |
| Monoisotopic Mass | 317.089 Da |
| Topological Polar Surface Area | 80.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 487.000 |
| 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-Amino-2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile , CAS No.863305-83-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)