1H-Pyrazole-3,5-dicarboxamide - ≥95% , CAS No.1397683-79-2

CAS: 1397683-79-2 Cat. No.: H190829 Fórmula: C₅H₆N₄O₂ Peso molecular: 154.13 Número EC: 973-317-3

GRADE & PURITY ≥95%

Synonyms

1397683-79-2 | 1H-Pyrazole-3,5-dicarboxamide | SCHEMBL1827221 | DS-6506 | AKOS022174390 | MFCD24645956 | A885950 | 1H-pyrazole-3,5-dicarboxylic acid diamide | EN300-7400677 | XFC68379 | DTXSID80712270

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1397683-79-2 | 1H-Pyrazole-3,5-dicarboxamide | SCHEMBL1827221 | DS-6506 | AKOS022174390 | MFCD24645956 | A885950 | 1H-pyrazole-3,5-dicarboxylic acid diamide | EN300-7400677 | XFC68379 | DTXSID80712270

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=C(NN=C1C(=O)N)C(=O)N
• IUPAC Name: 1H-pyrazole-3,5-dicarboxamide
• InChIKey: ZVXTUAKXYXKULZ-UHFFFAOYSA-N
• INCHI: 1S/C5H6N4O2/c6-4(10)2-1-3(5(7)11)9-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9)
• Isómeros SMILES: C1=C(NN=C1C(=O)N)C(=O)N
• Peso molecular: 154.13
• Reaxy-Rn: 22883852
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22883852&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 2-heteroaryl carboxamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: 2-heteroaryl carboxamides
• Alternative Parents: Pyrazole-5-carboxamides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Azole - Pyrazole - Heteroaromatic compound - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 154.130 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.049 Da
• Monoisotopic Mass: 154.049 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 193.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1397683-79-2, the molecular formula is C5H6N4O2, and the molecular weight is 154.13 g/mol. InChIKey ZVXTUAKXYXKULZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.