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1-Benzyl-4-bromo-3-methyl-1H-pyrazole-5-carboxamide - ≥98%, high purity , CAS No.1352926-13-6

COA

Grade & Purity:

≥98%

Cas Number: 1352926-13-6
Molecular Weight: 294.15
PubChem CID: 70700742

In stock

Item Number

B734805

Grouped product items
SKU	Size	Availability	Price
B734805-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$474.90
B734805-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$793.90
B734805-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,404.90

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 Benzene and substituted derivatives 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 - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous halide - Pyrazole - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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	2-benzyl-4-bromo-5-methylpyrazole-3-carboxamide
INCHI	InChI=1S/C12H12BrN3O/c1-8-10(13)11(12(14)17)16(15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,14,17)
InChIKey	SWGUCROCDBPHGE-UHFFFAOYSA-N
Smiles	CC1=NN(C(=C1Br)C(=O)N)CC2=CC=CC=C2
Isomeric SMILES	CC1=NN(C(=C1Br)C(=O)N)CC2=CC=CC=C2
PubChem CID	70700742
Molecular Weight	294.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	294.150 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	293.016 Da
Monoisotopic Mass	293.016 Da
Topological Polar Surface Area	60.900 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	281.000
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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