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3,5-Dimethyl-1H-pyrazole-1-acetic acid - ≥90.0%（HPLC）, high purity , CAS No.16034-49-4

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3,5-Dimethyl-1H-pyrazole-1-acetic acid - ≥90.0%（HPLC）, high purity , CAS No.16034-49-4

COA

Grade & Purity:

≥90%(HPLC)

Cas Number: 16034-49-4
Molecular Weight: 154.17
MDL number: MFCD00297249
PubChem CID: 572875
PubChem SID: 504759311

In stock

Item Number

D167662

Grouped product items
SKU	Size	Availability	Price
D167662-250mg	250mg	3	$66.90
D167662-1g	1g	3	$237.90
D167662-5g	5g	2	$1,069.90
D167662-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,813.90

Basic Description

Synonyms	FT-0648415 \| AC-28845 \| (3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid # \| 2-[(2-AMINO-6-OXO-6,9-DIHYDRO-1H-PURIN-9-YL)METHOXY]ETHYL (2S)-2-AMINO-3-METHYLBUTANOATE HYDROCHLORIDE \| ChemDiv2_003161 \| W-205859 \| CAS-59-30-3 \| 2-(3,5-dimethylpyrazol-1-yl)acetate;(
Specifications & Purity	≥90%(HPLC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Alpha amino acids and derivatives
Alternative Parents	Pyrazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-amino acid or derivatives - Azole - Pyrazole - Heteroaromatic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
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(Human)

HEK293 (82097 Activities)

Explore this target

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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	504759311
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759311
IUPAC Name	2-(3,5-dimethylpyrazol-1-yl)acetic acid
INCHI	InChI=1S/C7H10N2O2/c1-5-3-6(2)9(8-5)4-7(10)11/h3H,4H2,1-2H3,(H,10,11)
InChIKey	JYSWEDYPQJOEPO-UHFFFAOYSA-N
Smiles	CC1=CC(=NN1CC(=O)O)C
Isomeric SMILES	CC1=CC(=NN1CC(=O)O)C
WGK Germany	3
Molecular Weight	154.17
Reaxy-Rn	513595
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=513595&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.

8 results found

Lot Number	Certificate Type	Date	Item
F2414263	Certificate of Analysis	Jun 05, 2024	D167662
F2414264	Certificate of Analysis	Jun 05, 2024	D167662
F2414261	Certificate of Analysis	Jun 05, 2024	D167662
F2414257	Certificate of Analysis	Jun 05, 2024	D167662
F2414259	Certificate of Analysis	Jun 05, 2024	D167662
F2414258	Certificate of Analysis	Jun 05, 2024	D167662
F2414262	Certificate of Analysis	Jun 05, 2024	D167662
F2414260	Certificate of Analysis	Jun 05, 2024	D167662

Chemical and Physical Properties

Sensitivity	Light & Moisture & Heat Sensitive
Melt Point(°C)	186-192℃
Molecular Weight	154.170 g/mol
XLogP3	0.700
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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