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5-(trifluoromethyl)-1-o-methyl-1H-pyrazole-4-hydrazide , CAS No.618091-00-2
Discover 5-(trifluoromethyl)-1-o-methyl-1H-pyrazole-4-hydrazide by Aladdin Scientific in for only $687.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-(TRIFLUOROMETHYL)-1-O-TOLYL-1H-PYRAZOLE-4-CARBOHYDRAZIDE | 618091-00-2 | 1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide | 1-(o-Tolyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide | AKOS022833705 | 1-(2-methylphenyl)-5-(trifluoromethyl)-1H-pyr
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Pyrazole-4-carboxamides Toluenes Vinylogous amides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Pyrazole-4-carboxamide - Toluene - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
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.
Names and Identifiers
IUPAC Name
1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
INCHI
InChI=1S/C12H11F3N4O/c1-7-4-2-3-5-9(7)19-10(12(13,14)15)8(6-17-19)11(20)18-16/h2-6H,16H2,1H3,(H,18,20)
InChIKey
INEWEBSCNQRRKP-UHFFFAOYSA-N
Smiles
CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NN)C(F)(F)F
Isomeric SMILES
CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NN)C(F)(F)F
Molecular Weight
284.24
Reaxy-Rn
39722998
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39722998&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
284.240 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
284.088 Da
Monoisotopic Mass
284.088 Da
Topological Polar Surface Area
72.900 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
363.000
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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