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1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine - 96%, high purity , CAS No.1006436-44-7

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1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine - 96%, high purity , CAS No.1006436-44-7

COA

Grade & Purity:

≥96%

Cas Number: 1006436-44-7
Molecular Weight: 165.12
PubChem CID: 19620734
PubChem SID: 504768844

In stock

Item Number

M189291

Grouped product items
SKU	Size	Availability	Price
M189291-50mg	50mg	3	$33.90
M189291-100mg	100mg	3	$55.90
M189291-250mg	250mg	3	$85.90
M189291-1g	1g	3	$156.90
M189291-5g	5g	2	$522.90

Basic Description

Synonyms	1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine \| 1006436-44-7 \| 1-methyl-3-(trifluoromethyl)pyrazol-4-amine \| MFCD04970058 \| 4-Amino-1-methyl-3-(trifluoromethyl)pyrazol \| 1H-Pyrazol-4-amine, 1-methyl-3-(trifluoromethyl)- \| 3-(Trifluoromethyl)-1-methyl-1H-pyrazol-4-a
Specifications & Purity	≥96%
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	Pyrazoles
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504768844
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768844
IUPAC Name	1-methyl-3-(trifluoromethyl)pyrazol-4-amine
INCHI	InChI=1S/C5H6F3N3/c1-11-2-3(9)4(10-11)5(6,7)8/h2H,9H2,1H3
InChIKey	OHASPUNAEXVWEP-UHFFFAOYSA-N
Smiles	CN1C=C(C(=N1)C(F)(F)F)N
Isomeric SMILES	CN1C=C(C(=N1)C(F)(F)F)N
Molecular Weight	165.12
Reaxy-Rn	28241461
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28241461&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
L2404250	Certificate of Analysis	Dec 09, 2024	M189291
D2102149	Certificate of Analysis	Jan 22, 2024	M189291
D2102150	Certificate of Analysis	Jan 22, 2024	M189291
D2102155	Certificate of Analysis	Jan 22, 2024	M189291
D2102163	Certificate of Analysis	Jan 22, 2024	M189291
D2102165	Certificate of Analysis	Jan 22, 2024	M189291

Chemical and Physical Properties

Molecular Weight	165.120 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	165.051 Da
Monoisotopic Mass	165.051 Da
Topological Polar Surface Area	43.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146.000
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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