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Pyrazosulfuron-ethyl - analytical standard,98%, high purity , CAS No.93697-74-6
Basic Description
Synonyms
N-[(4,6-dimethoxypyrimidin-2-yl)amino-carbonyl]-4-ethoxycarbonyl-1-methylpyrazole-5-sulfonamide | N-[(4,6-dimethoxypyrimidin-2-yl)amino-carbonyl]-4-ethoxycarbonyl-1-methylpyrazole-5-sulfon-amide | N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]-4-ethoxycar
Specifications & Purity
analytical standard, ≥98%
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazole carboxylic acids and derivatives
Alternative Parents
Sulfonylureas Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Vinylogous amides Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-4-carboxylic acid or derivatives - Alkyl aryl ether - Sulfonylurea - Pyrimidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Ether - Carboximidic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
External Descriptors
Sulfonylurea herbicides
Data sources
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.
Associated Targets(non-human)
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
504756089
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504756089
IUPAC Name
ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
INCHI
InChI=1S/C14H18N6O7S/c1-5-27-12(21)8-7-15-20(2)11(8)28(23,24)19-14(22)18-13-16-9(25-3)6-10(17-13)26-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)
InChIKey
BGNQYGRXEXDAIQ-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
Isomeric SMILES
CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
WGK Germany
1
RTECS
UQ6393970
PubChem CID
91750
Molecular Weight
414.39
Beilstein
8442639
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
> 170 °C
Flash Point(°C)
>170°C
Melt Point(°C)
181-182°C
Molecular Weight
414.400 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
8
Exact Mass
414.096 Da
Monoisotopic Mass
414.096 Da
Topological Polar Surface Area
172.000 Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
645.000
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
Citations of This Product
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5 Citations
J2209531