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5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid - 97%, high purity , CAS No.856437-81-5

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5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid - 97%, high purity , CAS No.856437-81-5

COA

Grade & Purity:

≥97%

Cas Number: 856437-81-5
Molecular Weight: 194.23
MDL number: MFCD06589828
PubChem CID: 3159641

In stock

Item Number

E636076

Grouped product items
SKU	Size	Availability	Price	Qty
E636076-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$309.90

Basic Description

Synonyms	5-Ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid \| 856437-81-5 \| 5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid \| MLS000067329 \| CHEMBL1701520 \| SCHEMBL18365783 \| HMS2496O20 \| MFCD20361080 \| AKOS006293843 \| AKOS013465773 \| SMR000124817 \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazole carboxylic acids and derivatives
Alternative Parents	Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
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)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
INCHI	InChI=1S/C10H14N2O2/c1-2-6-3-4-8-7(5-6)9(10(13)14)12-11-8/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKey	PPQQUGJFBVPEOE-UHFFFAOYSA-N
Smiles	CCC1CCC2=C(C1)C(=NN2)C(=O)O
Isomeric SMILES	CCC1CCC2=C(C1)C(=NN2)C(=O)O
PubChem CID	3159641
Molecular Weight	194.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	194.230 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	194.106 Da
Monoisotopic Mass	194.106 Da
Topological Polar Surface Area	66.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	232.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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