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1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOHYDRAZIDE , CAS No.175137-32-3
Basic Description
Synonyms
175137-32-3 | 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide | 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide | 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid hydrazide | Maybridge1_003750 | MLS000720515 | CHEMBL1539203 | HMS552C10 | 5-(Trifluor
Storage Temp
Room temperature
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 Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Pyrazole-4-carboxamide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Heteroaromatic compound - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - 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.
Associated Targets(Human)
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
IUPAC Name
1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide
INCHI
InChI=1S/C11H9F3N4O/c12-11(13,14)9-8(10(19)17-15)6-16-18(9)7-4-2-1-3-5-7/h1-6H,15H2,(H,17,19)
InChIKey
HHPIIZJILLCOBV-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NN)C(F)(F)F
Isomeric SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NN)C(F)(F)F
PubChem CID
2776448
Molecular Weight
270.216
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
270.210 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
270.073 Da
Monoisotopic Mass
270.073 Da
Topological Polar Surface Area
72.900 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
330.000
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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