Cyclopentapyrazole-3-carboxylic acid - ≥98% , CAS No.5932-32-1

CAS: 5932-32-1 Cat. No.: C185444 Formula: C₇H₈N₂O₂ Peso molecolare: 152.15 Numero EC: 675-518-9

QUALITÀ & PUREZZA ≥98%

Synonyms

2,4,5,6-Tetrahydro-3-cyclopentapyrazolecarboxylic acid|2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate|CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID|2,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid|2,4,5,6-Tetrahydrocyclopentapyrazole-3-carboxylic acid|1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid|2H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid|1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid|1,4,5,6-tetrahydrocyclopentapyrazole-3-carboxylic acid|3-Cyclopentapyrazolecarboxylic acid, 2,4,5,6-tetrahydro|2,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carboxylicacid|1,4,5,6-tetrahydrocyclopenta [c]pyrazole-3-carboxylic acid|2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid|1H,4H,5H,6H-Cyclopenta[C]Pyrazole-3-Carboxylic Acid|3-Cyclopentapyrazolecarboxylicacid,2,4,5,6-tetrahydro-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifiche

Sinonimi

2,4,5,6-Tetrahydro-3-cyclopentapyrazolecarboxylic acid | 2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate | CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID | 2,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid | 2,4,5,6-Tetrahydrocyclopentapyrazole-3-carboxylic acid | 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid | 2H,4H,5H,6H-c Mostra altro

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528773265

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528773265

Sorrisi canonici

C1CC2=C(C1)NN=C2C(=O)O

IUPAC Name

1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid

InChIKey

FCYBBDFUBSEGMX-UHFFFAOYSA-N

INCHI

1S/C7H8N2O2/c10-7(11)6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)

Isomeri SMILES

C1CC2=C(C1)NN=C2C(=O)O

Peso molecolare

152.15

Reaxy-Rn

6255

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6255&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids 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 - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

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

Obiettivi associati (non umani)

Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 152.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 66.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 183.000
• 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