1,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-2-one - ≥97% , CAS No.1621525-68-5

CAS: 1621525-68-5 Cat. No.: T629876 Molecular Weight: 124.14 PubChem CID: 118164923

GRADE & PURITY ≥97%

Synonyms

1621525-68-5 | 1,4,5,6-TETRAHYDROPYRROLO[1,2-B]PYRAZOL-2-ONE | 5,6-Dihydro-1H-pyrrolo[1,2-b]pyrazol-2(4H)-one | starbld0049219 | SCHEMBL16825412 | F86259

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1621525-68-5 | 1, 4, 5, 6-TETRAHYDROPYRROLO[1, 2-B]PYRAZOL-2-ONE | 5, 6-Dihydro-1H-pyrrolo[1, 2-b]pyrazol-2(4H)-one | starbld0049219 | SCHEMBL16825412 | F86259

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC2=CC(=O)NN2C1
• IUPAC Name: 1,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-2-one
• InChIKey: GLQKDRCOQJDVTB-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O/c9-6-4-5-2-1-3-8(5)7-6/h4H,1-3H2,(H,7,9)
• Isomeric SMILES: C1CC2=CC(=O)NN2C1
• PubChem CID: 118164923
• Molecular Weight: 124.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyrazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyrazoles
• Alternative Parents: Pyrroles Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyrazole - Heteroaromatic compound - Pyrrole - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolopyrazoles. These are polycyclic aromatic compounds containing a pyrrole fused to a pyrazole ring. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazole is a 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers.
• 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