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1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid - 98%, high purity , CAS No.50920-46-2

COA

Grade & Purity:

≥98%

Cas Number: 50920-46-2
Molecular Weight: 154.2
PubChem CID: 16394827
PubChem SID: 488199374

In stock

Item Number

E184866

Grouped product items
SKU	Size	Availability	Price
E184866-250mg	250mg	2	$79.90
E184866-1g	1g	2	$285.90
E184866-5g	5g	2	$1,286.90

Basic Description

Synonyms	1-ethyl-5-methyl-1H-pyrazole-3-carboxylic acid \| 50920-46-2 \| 1-ethyl-5-methylpyrazole-3-carboxylic acid \| MFCD08445953 \| SCHEMBL2360638 \| DTXSID10585893 \| DMGJEACTEOFQPI-UHFFFAOYSA-N \| AMY32855 \| BBL031015 \| STK346770 \| AKOS000301681 \| FS-2077 \| s10907 \| SY038490 \| 1-Ethyl-5-methyl
Specifications & Purity	≥98%
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 Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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

Names and Identifiers

Pubchem Sid	488199374
IUPAC Name	1-ethyl-5-methylpyrazole-3-carboxylic acid
INCHI	InChI=1S/C7H10N2O2/c1-3-9-5(2)4-6(8-9)7(10)11/h4H,3H2,1-2H3,(H,10,11)
InChIKey	DMGJEACTEOFQPI-UHFFFAOYSA-N
Smiles	CCN1C(=CC(=N1)C(=O)O)C
Isomeric SMILES	CCN1C(=CC(=N1)C(=O)O)C
Molecular Weight	154.2
Reaxy-Rn	122133
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122133&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
B2301090	Certificate of Analysis	Nov 26, 2022	E184866
B2301044	Certificate of Analysis	Nov 26, 2022	E184866
B2301029	Certificate of Analysis	Nov 26, 2022	E184866
B2301062	Certificate of Analysis	Nov 26, 2022	E184866
B2301085	Certificate of Analysis	Nov 26, 2022	E184866
B2301088	Certificate of Analysis	Nov 26, 2022	E184866

Chemical and Physical Properties

Molecular Weight	154.170 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	154.074 Da
Monoisotopic Mass	154.074 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161.000
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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