tert-butyl (3R)-3-[3-bromo-4-carbamoyl-5-(methylamino)pyrazol-1-yl]pyrrolidine-1-carboxylate - ≥97% , CAS No.2173637-25-5

CAS: 2173637-25-5 Cat. No.: T631985 Peso molecular: 388.26 PubChem CID: 132352813

GRADE & PURITY ≥97%

Synonyms

AS-54399 | 1-Pyrrolidinecarboxylic acid, 3-[4-(aminocarbonyl)-3-bromo-5-(methylamino)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester, (3R)- | tert-butyl (3R)-3-[3-bromo-4-carbamoyl-5-(methylamino)-1H-pyrazol-1-yl]pyrrolidine-1-carboxylate | tert-butyl(3R)-3-[

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-54399 | 1-Pyrrolidinecarboxylic acid, 3-[4-(aminocarbonyl)-3-bromo-5-(methylamino)-1H-pyrazol-1-yl]-, 1, 1-dimethylethyl ester, (3R)- | tert-butyl (3R)-3-[3-bromo-4-carbamoyl-5-(methylamino)-1H-pyrazol-1-yl]pyrrolidine-1-carboxylate | tert-butyl(3R)-3-[

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC(C1)N2C(=C(C(=N2)Br)C(=O)N)NC
• IUPAC Name: tert-butyl (3R)-3-[3-bromo-4-carbamoyl-5-(methylamino)pyrazol-1-yl]pyrrolidine-1-carboxylate
• InChIKey: LKULTXGCEFLBCA-MRVPVSSYSA-N
• INCHI: 1S/C14H22BrN5O3/c1-14(2,3)23-13(22)19-6-5-8(7-19)20-12(17-4)9(11(16)21)10(15)18-20/h8,17H,5-7H2,1-4H3,(H2,16,21)/t8-/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N1CC[C@H](C1)N2C(=C(C(=N2)Br)C(=O)N)NC
• CAS alternativo: 2173637-25-5
• PubChem CID: 132352813
• Peso molecular: 388.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Pyrazole-4-carboxamides Secondary alkylarylamines Vinylogous halides Vinylogous amides Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Hydrazones Dialkylamines Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazole-4-carboxamide - Pyrrolidine carboxylic acid - Secondary aliphatic/aromatic amine - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Carbamic acid ester - Azole - Carbonic acid derivative - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Hydrazone - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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