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tert-butyl 3-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate - 97%, high purity
Discover tert-butyl 3-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate by Aladdin Scientific in 97% for only $1,752.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
951127-35-8 | 5-BOC-3-METHYL-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYRAZOLE | tert-butyl 3-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate | tert-butyl 3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1h)-carboxylate | tert-butyl 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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 Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrazole - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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.
Names and Identifiers
IUPAC Name
tert-butyl 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate
INCHI
InChI=1S/C11H17N3O2/c1-7-8-5-14(6-9(8)13-12-7)10(15)16-11(2,3)4/h5-6H2,1-4H3,(H,12,13)
InChIKey
QVAXHLTUZGFIBD-UHFFFAOYSA-N
Smiles
CC1=C2CN(CC2=NN1)C(=O)OC(C)(C)C
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
223.270 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
223.132 Da
Monoisotopic Mass
223.132 Da
Topological Polar Surface Area
58.200 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
287.000
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
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