tert-butyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate - ≥97% , CAS No.1784048-63-0

CAS: 1784048-63-0 Cat. No.: T630419 Molecular Weight: 238.29 PubChem CID: 83850986

GRADE & PURITY ≥97%

Synonyms

1784048-63-0 | tert-Butyl 3-amino-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate | tert-Butyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate | MFCD28620975 | E85665 | EN300-1116920 | tert-Butyl3-amino-1-methyl-1H,4H,5H,6H-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1784048-63-0 | tert-Butyl 3-amino-1-methyl-1H, 4H, 5H, 6H-pyrrolo[3, 4-c]pyrazole-5-carboxylate | tert-Butyl 3-amino-1-methyl-4, 6-dihydropyrrolo[3, 4-c]pyrazole-5(1H)-carboxylate | MFCD28620975 | E85665 | EN300-1116920 | tert-Butyl3-amino-1-methyl-1H, 4H, 5H, 6H-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CC2=C(C1)N(N=C2N)C
• IUPAC Name: tert-butyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
• InChIKey: BGPAUQFUQRYHED-UHFFFAOYSA-N
• INCHI: 1S/C11H18N4O2/c1-11(2,3)17-10(16)15-5-7-8(6-15)14(4)13-9(7)12/h5-6H2,1-4H3,(H2,12,13)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC2=C(C1)N(N=C2N)C
• PubChem CID: 83850986
• Molecular Weight: 238.29

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: Imidolactams Pyrroles Pyrazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyrazole - Imidolactam - Azole - Pyrazole - Pyrrole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Carbonyl group - Organic nitrogen compound - Amine - Primary amine - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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