≥97% 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 | CC(C)C1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)O)C4=CC=C(C=C4)F |
|---|---|
| IUPAC Name | 6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChIKey | ABERBUFWYGONOA-UHFFFAOYSA-N |
| INCHI | 1S/C19H18FN3O2/c1-10(2)17-16-14(19(24)25)9-15(11-3-4-11)21-18(16)23(22-17)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,24,25) |
| Isomeric SMILES | CC(C)C1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)O)C4=CC=C(C=C4)F |
| PubChem CID | 25247557 |
| Molecular Weight | 339.36 |
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 | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyridinecarboxylic acids Pyrazolopyridines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Benzenoid - Pyridine - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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 | 339.400 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 339.138 Da |
| Monoisotopic Mass | 339.138 Da |
| Topological Polar Surface Area | 68.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 505.000 |
| 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 |
![6-Cyclopropyl-1-(4-fluorophenyl)-3-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - ≥97% , CAS No.1011399-77-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)