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5-Methyl-1H-pyrazole-3-carbohydrazide - 97%, high purity , CAS No.40535-14-6
Basic Description
Synonyms
5-Methyl-1H-pyrazole-3-carboxylic acid hydrazide | AKOS025394992 | AS-8023 | DTXSID40353209 | MFCD03423274 | SMR000433738 | 5-methyl-1 h-pyrazole-3-carboxylic acid hydrazide | 7Y-0813 | AKOS000305723 | 5-methylpyrazole-3-carbohydrazide | SCHEMBL16027471 |
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Pyrazole carboxylic acids and derivatives
Direct Parent
Pyrazole-5-carboxamides
Alternative Parents
Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-5-carboxamide - Heteroaromatic compound - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole-5-carboxamides. These are compounds containing a pyrazole ring that carries a carboxamide group at the 4-position.
External Descriptors
Not available
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(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5-methyl-1H-pyrazole-3-carbohydrazide
INCHI
InChI=1S/C5H8N4O/c1-3-2-4(9-8-3)5(10)7-6/h2H,6H2,1H3,(H,7,10)(H,8,9)
InChIKey
FWNHUZOBVQZERU-UHFFFAOYSA-N
Smiles
CC1=CC(=NN1)C(=O)NN
Isomeric SMILES
CC1=CC(=NN1)C(=O)NN
Molecular Weight
140.15
Reaxy-Rn
4021
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4021&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
140.140 g/mol
XLogP3
-0.500
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
140.07 Da
Monoisotopic Mass
140.07 Da
Topological Polar Surface Area
83.800 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
138.000
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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