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4-Bromo-5-methyl-1H-pyrazole-3-carboxamide - ≥98%, high purity , CAS No.32258-58-5

COA

Grade & Purity:

≥98%

Cas Number: 32258-58-5
Molecular Weight: 204.02
PubChem CID: 47367089

In stock

Item Number

B732946

Grouped product items
SKU	Size	Availability	Price	Qty
B732946-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$489.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid amides
        Level6 2-heteroaryl carboxamides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid amides
Direct Parent	2-heteroaryl carboxamides
Alternative Parents	Pyrazole-5-carboxamides Aryl bromides Vinylogous halides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Aryl bromide - Aryl halide - Azole - Pyrazole - Vinylogous halide - Heteroaromatic compound - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide 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

IUPAC Name	4-bromo-5-methyl-1H-pyrazole-3-carboxamide
INCHI	InChI=1S/C5H6BrN3O/c1-2-3(6)4(5(7)10)9-8-2/h1H3,(H2,7,10)(H,8,9)
InChIKey	ZDMIXRPYDJANCI-UHFFFAOYSA-N
Smiles	CC1=C(C(=NN1)C(=O)N)Br
Isomeric SMILES	CC1=C(C(=NN1)C(=O)N)Br
PubChem CID	47367089
Molecular Weight	204.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	204.020 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	202.969 Da
Monoisotopic Mass	202.969 Da
Topological Polar Surface Area	71.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	152.000
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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