3-Bromopyrazolo[1,5-a]pyrimidine - ≥97% , CAS No.55405-67-9

CAS: 55405-67-9 Cat. No.: B170959 Formula: C₆H₄BrN₃ Peso molecolare: 198.02 Numero EC: 803-869-1

GRADE & PURITY ≥97%

Synonyms

3-Bromopyrazolo[1,5-a]pyrimidine, 97% | STL414862 | SCHEMBL1693808 | FS-2892 | A830626 | FT-0646324 | AM20100359 | DTXSID90480291 | BDBM50578094 | AKOS005073866 | SY009006 | MFJWRPLBWPDHGV-UHFFFAOYSA-N | PB22252 | 3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE | 3-Bro

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

3-Bromopyrazolo[1,5-a]pyrimidine, 97% | STL414862 | SCHEMBL1693808 | FS-2892 | A830626 | FT-0646324 | AM20100359 | DTXSID90480291 | BDBM50578094 | AKOS005073866 | SY009006 | MFJWRPLBWPDHGV-UHFFFAOYSA-N | PB22252 | 3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE | 3-Bro

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504766972

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766972

Sorrisi canonici

C1=CN2C(=C(C=N2)Br)N=C1

IUPAC Name

3-bromopyrazolo[1,5-a]pyrimidine

InChIKey

MFJWRPLBWPDHGV-UHFFFAOYSA-N

INCHI

1S/C6H4BrN3/c7-5-4-9-10-3-1-2-8-6(5)10/h1-4H

Isomeri SMILES

C1=CN2C(=C(C=N2)Br)N=C1

WGK Germania

3

Peso molecolare

198.02

Reaxy-Rn

607835

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607835&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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 Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[1,5-a]pyrimidine - Pyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Obiettivi associati (non umani)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 150-152 °C
• Peso molecolare: 198.020 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.959 Da
• Monoisotopic Mass: 196.959 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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