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4-(trifluoromethyl)-1H-pyrazol-3-amine - 97%, high purity , CAS No.1056139-87-7
Discover 4-(trifluoromethyl)-1H-pyrazol-3-amine by Aladdin Scientific in 97% for only $1,203.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(trifluoromethyl)-1H-Pyrazol-3-amine | 1056139-87-7 | 4-(trifluoromethyl)-1H-pyrazol-5-amine | 4-Trifluoromethyl-1H-pyrazol-3-ylamine | C4H4F3N3 | 4-TRIFLUOROMETHYL-1H-PYRAZOL-3-AMINE | MFCD13190431 | SCHEMBL11192096 | SCHEMBL20542069 | 3-amino-4-trifluoromethylpyrazole |
Specifications & Purity
≥97%
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
Pyrazoles
Alternative Parents
Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
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
4-(trifluoromethyl)-1H-pyrazol-5-amine
INCHI
InChI=1S/C4H4F3N3/c5-4(6,7)2-1-9-10-3(2)8/h1H,(H3,8,9,10)
InChIKey
KBVOILKOLGWPBG-UHFFFAOYSA-N
Smiles
C1=NNC(=C1C(F)(F)F)N
Isomeric SMILES
C1=NNC(=C1C(F)(F)F)N
PubChem CID
23569312
Molecular Weight
151.092
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
151.090 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
151.036 Da
Monoisotopic Mass
151.036 Da
Topological Polar Surface Area
54.700 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
123.000
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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