Pyrazolone

HCID 11513733CAS 39455-90-8

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Grundinformationen

Standard-SMILES: O=C1C=CN=N1
InChIKey: JEXVQSWXXUJEMA-UHFFFAOYSA-N
Summenformel: C3H2N2O
Durchschnittliche Molmasse: 82,06 g/mol
Monoisotopische Masse: 82,01671269

Namen und Bezeichner

Bevorzugter Name: Pyrazolone
IUPAC: pyrazol-3-one
Englischer Name: Pyrazolone
Summenformel: C3H2N2O
Molmasse: 82.06

Namen und Synonyme

pyrazolone39455-90-8RefChem:930319CHEBI:83328Pyrazol-3-one3H-Pyrazol-3-oneoxodiazoleoxo-pyrazoleDTXSID80960092JEXVQSWXXUJEMA-UHFFFAOYSA-NSCHEMBL57549SCHEMBL352970

Weitere Namen anzeigen

SCHEMBL1298403SCHEMBL15902111AKOS006279659SB1216456240-95-0

Datenbank-Bezeichner

CAS: 39455-90-8
PubChem CID: 11513733
DTXSID: DTXSID80960092

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 41,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 125

Physikochemische Eigenschaften

Schmelzpunkt: 166 °C · 166 °C

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.