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1,3-Dimethyl-5-pyrazolone - 96%, high purity , CAS No.2749-59-9

COA

Grade & Purity:

≥96%

Cas Number: 2749-59-9
Molecular Weight: 112.13
MDL number: MFCD00067008
PubChem CID: 17673
PubChem SID: 504752843

In stock

Item Number

D105385

Grouped product items
SKU	Size	Availability	Price
D105385-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$12.90
D105385-25g	25g	2	$47.90
D105385-100g	100g	1	$123.90
D105385-250g	250g	1	$277.90
D105385-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$362.90

View related series

Five-Membered Heterocyclic Compounds (2064) Pyrazoles (228)

Basic Description

Synonyms	1,3-Dimethyl-5-pyrazolone \| 3H-Pyrazol-3-one,4-dihydro-2,5-dimethyl- \| BB 0257793 \| W-107110 \| DTXSID4074641 \| EN300-52927 \| NSC304 \| NSC-304 \| NSC 304 \| SY030288 \| F10825 \| 2-Pyrazolin-5-one, 1,3-dimethyl- \| 3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl- \|
Specifications & Purity	≥96%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolines
    - Subclass Pyrazolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolines
Subclass	Pyrazolines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolones
Alternative Parents	N-alkylated hydrazones Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrazolinone - N-alkylated hydrazone - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolones. These are compounds containing a pyrazole ring which bears a ketone.
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

Pubchem Sid	504752843
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752843
IUPAC Name	2,5-dimethyl-4H-pyrazol-3-one
INCHI	InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3H2,1-2H3
InChIKey	NDELSWXIAJLWOU-UHFFFAOYSA-N
Smiles	CC1=NN(C(=O)C1)C
Isomeric SMILES	CC1=NN(C(=O)C1)C
Molecular Weight	112.13
Reaxy-Rn	606483
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606483&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
G2107099	Certificate of Analysis	Apr 08, 2025	D105385
F2122072	Certificate of Analysis	Apr 08, 2025	D105385
I2209228	Certificate of Analysis	Jul 14, 2022	D105385
I2209224	Certificate of Analysis	Jul 14, 2022	D105385
I2209225	Certificate of Analysis	Jul 14, 2022	D105385
I2209226	Certificate of Analysis	Jul 14, 2022	D105385

Chemical and Physical Properties

Solubility	Soluble in water
Melt Point(°C)	117°C
Molecular Weight	112.130 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	112.064 Da
Monoisotopic Mass	112.064 Da
Topological Polar Surface Area	32.700 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	151.000
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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