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5-(difluoromethyl)-1H-pyrazol-3-amine - 97%, high purity , CAS No.1284220-49-0
Discover 5-(difluoromethyl)-1H-pyrazol-3-amine by Aladdin Scientific in 97% for only $3,503.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-(difluoromethyl)-1H-pyrazol-3-amine | 1284220-49-0 | 3-(difluoromethyl)-1H-pyrazol-5-amine | 5-Amino-3-(difluoromethyl)-1H-pyrazole | 1H-Pyrazol-3-amine, 5-(difluoromethyl)- | MFCD23105881 | 3-Amino-5-(difluoromethyl)pyrazole | SCHEMBL2148696 | SCHEMBL9905505 | AMY33878 |
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidolactams
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Imidolactams
Alternative Parents
Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Imidolactam - Heteroaromatic compound - Pyrazole - Azole - 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 imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom.
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
5-(difluoromethyl)-1H-pyrazol-3-amine
INCHI
InChI=1S/C4H5F2N3/c5-4(6)2-1-3(7)9-8-2/h1,4H,(H3,7,8,9)
InChIKey
CRWZZOMNSRUIMA-UHFFFAOYSA-N
Smiles
C1=C(NN=C1N)C(F)F
Isomeric SMILES
C1=C(NN=C1N)C(F)F
Molecular Weight
133.102
Reaxy-Rn
21649576
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21649576&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
133.100 g/mol
XLogP3
0.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
133.045 Da
Monoisotopic Mass
133.045 Da
Topological Polar Surface Area
54.700 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
97.800
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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