3-Amino-4-pyrazolecarboxamide hemisulfate salt - ≥98% , CAS No.27511-79-1

CAS: 27511-79-1 Cat. No.: A102971 Peso molecular: 175.16 Número EC: 248-503-6

GRADE & PURITY ≥98%

Synonyms

3-Amino-1H-pyrazole-4-carboxamide Hemisulfate | 3-Amino-4-carbamoylpyrazole Hemisulfate | 3-Amino-4-pyrazolecarboxamide hemisulfate | 3-Aminopyrazole-4-carboxamide Hemisulfate | SY020966 | 3-Amino pyrazole carboxamide hemisulfate | A5327 | EC 248-503-6 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-Amino-1H-pyrazole-4-carboxamide Hemisulfate | 3-Amino-4-carbamoylpyrazole Hemisulfate | 3-Amino-4-pyrazolecarboxamide hemisulfate | 3-Aminopyrazole-4-carboxamide Hemisulfate | SY020966 | 3-Amino pyrazole carboxamide hemisulfate | A5327 | EC 248-503-6 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192216
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192216
• Sonrisas canónicas: C1=NNC(=C1C(=O)N)N.C1=NNC(=C1C(=O)N)N.OS(=O)(=O)O
• IUPAC Name: 5-amino-1H-pyrazole-4-carboxamide;sulfuric acid
• InChIKey: UMPKASYMNORSRO-UHFFFAOYSA-N
• INCHI: 1S/2C4H6N4O.H2O4S/c2*5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h2*1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)
• Isómeros SMILES: C1=NNC(=C1C(=O)N)N.C1=NNC(=C1C(=O)N)N.OS(=O)(=O)O
• WGK Alemania: 3
• Peso molecular: 175.16
• Reaxy-Rn: 9584204
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9584204&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles
        • Level5 Pyrazole carboxylic acids and derivatives
          • Level6 Pyrazole-4-carboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Pyrazole carboxylic acids and derivatives
• Direct Parent: Pyrazole-4-carboxamides
• Alternative Parents: Organic sulfuric acids Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Pyrazole-4-carboxamide - Sulfuric acid - Organic sulfuric acid or derivatives - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazole-4-carboxamides. These are compounds containing a pyrazole ring that carries a carboxamide group at the 4-position.
• 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de fusión (°C): 224°C
• Peso molecular: 350.320 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 350.076 Da
• Monoisotopic Mass: 350.076 Da
• Topological Polar Surface Area: 279.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 207.000
• 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: 3

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