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5-tert-Butyl 7-ethyl 6，7-dihydro-1H-pyrazolo[4，3-c]pyridine-5，7(4H)-dicarboxylate - ≥95%, high purity , CAS No.1000994-24-0

COA

Grade & Purity:

≥95%

Cas Number: 1000994-24-0
Molecular Weight: 295.33
MDL number: MFCD16251075
PubChem CID: 59430425

In stock

Item Number

T768472

Grouped product items
SKU	Size	Availability	Price	Qty
T768472-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,386.90
T768472-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,773.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazoles
Alternative Parents	Heteroaromatic compounds Carbamate esters Tertiary amines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazole - Carbamic acid ester - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	5-O-tert-butyl 7-O-ethyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5,7-dicarboxylate
INCHI	InChI=1S/C14H21N3O4/c1-5-20-12(18)10-8-17(13(19)21-14(2,3)4)7-9-6-15-16-11(9)10/h6,10H,5,7-8H2,1-4H3,(H,15,16)
InChIKey	NDPZNTWXVIAYLR-UHFFFAOYSA-N
Smiles	CCOC(=O)C1CN(CC2=C1NN=C2)C(=O)OC(C)(C)C
Isomeric SMILES	CCOC(=O)C1CN(CC2=C1NN=C2)C(=O)OC(C)(C)C
PubChem CID	59430425
Molecular Weight	295.33

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	295.330 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	295.153 Da
Monoisotopic Mass	295.153 Da
Topological Polar Surface Area	84.500 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	408.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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