pyrazolo[1,5-a]pyrimidine-3-carbonitrile - ≥97% , CAS No.25939-87-1

CAS: 25939-87-1 Cat. No.: P175922 Peso molecular: 144.13 Número EC: 103-266-7

GRADE & PURITY ≥97%

Synonyms

Q27462821 | BDBM24629 | pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 8 | SY097386 | pyrazolo[1,5-a]pyrimidin-3-yl cyanide | LZM | AS-33588 | STK312850 | AKOS000310227 | DTXSID40356058 | Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, AldrichCPR | MFCD01927799 | py

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Q27462821 | BDBM24629 | pyrazolo[1, 5-a]pyrimidine-3-carbonitrile, 8 | SY097386 | pyrazolo[1, 5-a]pyrimidin-3-yl cyanide | LZM | AS-33588 | STK312850 | AKOS000310227 | DTXSID40356058 | Pyrazolo[1, 5-a]pyrimidine-3-carbonitrile, AldrichCPR | MFCD01927799 | py

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CN2C(=C(C=N2)C#N)N=C1
• IUPAC Name: pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• InChIKey: RRHORVAOECWFPT-UHFFFAOYSA-N
• INCHI: 1S/C7H4N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H
• Isómeros SMILES: C1=CN2C(=C(C=N2)C#N)N=C1
• Peso molecular: 144.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrazolopyrimidines
      • Subclass Pyrazolo[1,5-a]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrazolopyrimidines
• Subclass: Pyrazolo[1,5-a]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[1,5-a]pyrimidines
• Alternative Parents: Pyrimidines and pyrimidine derivatives Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[1,5-a]pyrimidine - Pyrimidine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 144.130 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 144.044 Da
• Monoisotopic Mass: 144.044 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 194.000
• 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