1-(1-ethylpyrazol-4-yl)ethanone - ≥97% , CAS No.925147-29-1

CAS: 925147-29-1 Cat. No.: E635154 Summenformel: C₇H₁₀N₂O Molekulargewicht: 138.17 EG-Nummer: 980-246-1 PubChem CID: 4912928

GRADE & PURITY ≥97%

Synonyms

BB 0254418 | AKOS000308119 | 1-(1-Ethyl-4-pyrazolyl)ethanone | 1-(1-ethyl-1H-pyrazol-4-yl)ethan-1-one | STK349053 | AS-63898 | EN300-56316 | SY180179 | XOFFHLYAOSZSIB-UHFFFAOYSA-N | SCHEMBL12159798 | BBL016189 | MFCD04967136 | D96811 | Ethanone, 1-(1-ethy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BB 0254418 | AKOS000308119 | 1-(1-Ethyl-4-pyrazolyl)ethanone | 1-(1-ethyl-1H-pyrazol-4-yl)ethan-1-one | STK349053 | AS-63898 | EN300-56316 | SY180179 | XOFFHLYAOSZSIB-UHFFFAOYSA-N | SCHEMBL12159798 | BBL016189 | MFCD04967136 | D96811 | Ethanone, 1-(1-ethy

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CCN1C=C(C=N1)C(=O)C

IUPAC Name

1-(1-ethylpyrazol-4-yl)ethanone

InChIKey

XOFFHLYAOSZSIB-UHFFFAOYSA-N

INCHI

1S/C7H10N2O/c1-3-9-5-7(4-8-9)6(2)10/h4-5H,3H2,1-2H3

Isomere SMILES

CCN1C=C(C=N1)C(=O)C

Alternative CAS-Nummer

925147-29-1

PubChem CID

4912928

Molekulargewicht

138.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Vinylogous amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 138.170 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.079 Da
• Monoisotopic Mass: 138.079 Da
• Topological Polar Surface Area: 34.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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