ethyl pyrazolo[1,5-a]pyridine-3-carboxylate - ≥97% , CAS No.16205-44-0

CAS: 16205-44-0 Cat. No.: E174634 Molecular Weight: 190.202

GRADE & PURITY ≥97%

Synonyms

SCHEMBL600704 | SDCCGMLS-0066065.P001 | Q27452355 | Ethylpyrazolo[1,5-a]pyridine-3-carboxylate | PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER | SY060415 | IDHMFSBXNNIWCT-UHFFFAOYSA-N | AM20050857 | DTXSID80383686 | FT-0650917 | MFCD06411542 | A81

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL600704 | SDCCGMLS-0066065.P001 | Q27452355 | Ethylpyrazolo[1, 5-a]pyridine-3-carboxylate | PYRAZOLO[1, 5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER | SY060415 | IDHMFSBXNNIWCT-UHFFFAOYSA-N | AM20050857 | DTXSID80383686 | FT-0650917 | MFCD06411542 | A81

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762166
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762166
• Canonical Smiles: CCOC(=O)C1=C2C=CC=CN2N=C1
• IUPAC Name: ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
• InChIKey: IDHMFSBXNNIWCT-UHFFFAOYSA-N
• INCHI: 1S/C10H10N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h3-7H,2H2,1H3
• Isomeric SMILES: CCOC(=O)C1=C2C=CC=CN2N=C1
• Molecular Weight: 190.202
• Reaxy-Rn: 1570568
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1570568&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolopyridines
• Alternative Parents: Pyrazole carboxylic acids and derivatives Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyridine - Pyrazole-4-carboxylic acid or derivatives - Pyridine - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen 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

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 134-135°/2.3mmHg
• Molecular Weight: 190.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 190.074 Da
• Monoisotopic Mass: 190.074 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 220.000
• 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