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5-Cyclopropyl-7-(difluoromethyl)pyrazolo[1，5-a]pyrimidine-3-carboxylic acid - ≥95%, high purity , CAS No.438227-80-6

COA

Grade & Purity:

≥95%

Cas Number: 438227-80-6
Molecular Weight: 253.21
PubChem CID: 1096391

In stock

Item Number

C699374

Grouped product items
SKU	Size	Availability	Price
C699374-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$216.90
C699374-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$442.90
C699374-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,317.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolopyrimidines
    - Subclass Pyrazolo[1,5-a]pyrimidines

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	Pyrazole carboxylic acids and derivatives Pyrimidines and pyrimidine derivatives Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[1,5-a]pyrimidine - Pyrazole-4-carboxylic acid or derivatives - Pyrimidine - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Alkyl halide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
INCHI	InChI=1S/C11H9F2N3O2/c12-9(13)8-3-7(5-1-2-5)15-10-6(11(17)18)4-14-16(8)10/h3-5,9H,1-2H2,(H,17,18)
InChIKey	AZZCLQRJWLKGDA-UHFFFAOYSA-N
Smiles	C1CC1C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)O
Isomeric SMILES	C1CC1C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)O
PubChem CID	1096391
Molecular Weight	253.21

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	253.200 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	253.066 Da
Monoisotopic Mass	253.066 Da
Topological Polar Surface Area	67.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	351.000
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

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