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3-methoxy-1H-pyrazole-4-carboxylic acid - 97%, high purity , CAS No.478968-49-9

COA

Grade & Purity:

≥97%

Cas Number: 478968-49-9
Molecular Weight: 142.11
PubChem CID: 10261193

In stock

Item Number

M633960

Grouped product items
SKU	Size	Availability	Price	Qty
M633960-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90
M633960-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,086.90

Basic Description

Synonyms	3-Methoxy-1H-pyrazole-4-carboxylic acid \| 478968-49-9 \| 5-methoxy-1H-pyrazole-4-carboxylic acid \| 1H-Pyrazole-4-carboxylic acid, 3-methoxy- \| CHEMBL65720 \| SCHEMBL18018335 \| MFCD16619773 \| AKOS006388112 \| 3-Methoxy-1H-pyrazole-4-carboxylicacid \| BS-43393
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	Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-4-carboxylic acid or derivatives - Alkyl aryl ether - Heteroaromatic compound - Vinylogous amide - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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

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-methoxy-1H-pyrazole-4-carboxylic acid
INCHI	InChI=1S/C5H6N2O3/c1-10-4-3(5(8)9)2-6-7-4/h2H,1H3,(H,6,7)(H,8,9)
InChIKey	DKRJYDYNPAQHHO-UHFFFAOYSA-N
Smiles	COC1=C(C=NN1)C(=O)O
Isomeric SMILES	COC1=C(C=NN1)C(=O)O
PubChem CID	10261193
Molecular Weight	142.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	142.110 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	142.038 Da
Monoisotopic Mass	142.038 Da
Topological Polar Surface Area	75.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	139.000
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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