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Basic Description
| Synonyms | 5932-31-0 | ethyl 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate | 1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER | Ethyl 1,4,5,6-tetrahydrocyclopentapyrazole-3-carboxylate | 3-CYCLOPENTAPYRAZOLECARBOXYLIC ACID, 1,4,5,6-TETRAHYDRO-, ET |
|---|---|
| Specifications & Purity | ≥97% |
| Product Description |
Ethyl 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate (CAS# 5932-31-0) is a useful research chemical compound. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazole carboxylic acids and derivatives |
| Alternative Parents | 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 | Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488200268 |
|---|---|
| IUPAC Name | ethyl 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate |
| INCHI | InChI=1S/C9H12N2O2/c1-2-13-9(12)8-6-4-3-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11) |
| InChIKey | NDGAORNQTOHHSU-UHFFFAOYSA-N |
| Smiles | CCOC(=O)C1=NNC2=C1CCC2 |
| Isomeric SMILES | CCOC(=O)C1=NNC2=C1CCC2 |
| Molecular Weight | 180.21 |
| Reaxy-Rn | 8972 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8972&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2519120 |
Certificate of Analysis | Jun 30, 2025 | E420043 |
| K2211445 |
Certificate of Analysis | Sep 16, 2022 | E420043 |
| K2211559 |
Certificate of Analysis | Sep 16, 2022 | E420043 |
| D2312005 |
Certificate of Analysis | Sep 16, 2022 | E420043 |
| K2211470 |
Certificate of Analysis | Sep 16, 2022 | E420043 |
Chemical and Physical Properties
| Molecular Weight | 180.200 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 180.09 Da |
| Monoisotopic Mass | 180.09 Da |
| Topological Polar Surface Area | 55.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 208.000 |
| 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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