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5-(Trifluoromethyl)pyrazole-3-carboxamide - ≥97%, high purity , CAS No.1276541-94-6

COA

Grade & Purity:

≥97%

Cas Number: 1276541-94-6
Molecular Weight: 179.1
PubChem CID: 21990846

In stock

Item Number

P691248

Grouped product items
SKU	Size	Availability	Price	Qty
P691248-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$451.90

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 Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Azole - Pyrazole - Heteroaromatic compound - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - 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	5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
INCHI	InChI=1S/C5H4F3N3O/c6-5(7,8)3-1-2(4(9)12)10-11-3/h1H,(H2,9,12)(H,10,11)
InChIKey	ZGCQBYSIGOKBNS-UHFFFAOYSA-N
Smiles	C1=C(NN=C1C(=O)N)C(F)(F)F
Isomeric SMILES	C1=C(NN=C1C(=O)N)C(F)(F)F
PubChem CID	21990846
Molecular Weight	179.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	179.100 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	179.031 Da
Monoisotopic Mass	179.031 Da
Topological Polar Surface Area	71.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193.000
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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5-(Trifluoromethyl)pyrazole-3-carboxamide - ≥97%, high purity , CAS No.1276541-94-6

Basic Description