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4-chloro-1H-pyrazole-3-carboxamide - 97%, high purity , CAS No.33064-37-8
Basic Description
Synonyms
DTXSID301298233 | AKOS005174151 | SCHEMBL15651802 | 4-chloro-1H-pyrazole-3-carboxamide | SY322750 | E79873 | EN300-7024033 | MFCD15146442 | 4-chloro-1H-pyrazole-5-carboxamide | LS-04180 | SCHEMBL2591837
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid amides
Direct Parent
2-heteroaryl carboxamides
Alternative Parents
Pyrazole-5-carboxamides Aryl chlorides Vinylogous halides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Aryl chloride - Aryl halide - Azole - Pyrazole - Vinylogous halide - Heteroaromatic compound - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide 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
4-chloro-1H-pyrazole-5-carboxamide
INCHI
InChI=1S/C4H4ClN3O/c5-2-1-7-8-3(2)4(6)9/h1H,(H2,6,9)(H,7,8)
InChIKey
BSRADBHDGBSUDE-UHFFFAOYSA-N
Smiles
C1=NNC(=C1Cl)C(=O)N
Isomeric SMILES
C1=NNC(=C1Cl)C(=O)N
Alternate CAS
33064-37-8
PubChem CID
46318315
Molecular Weight
145.55
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
145.550 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
145.004 Da
Monoisotopic Mass
145.004 Da
Topological Polar Surface Area
71.800 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
129.000
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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