CAS 478081-98-0 Isozaleplon (HCID 9879548)

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Basic information

CAS: 478081-98-0
Standard SMILES: CCN(C(C)=O)c1cccc(-c2ccn3ncc(C#N)c3n2)c1
InChIKey: ZMUMYMWAIXXLIY-UHFFFAOYSA-N
Molecular formula: C17H15N5O
Average molar mass: 305.33 g/mol
Monoisotopic mass: 305.1276601

Names & identifiers

Preferred name: Isozaleplon
IUPAC: N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide
English name: N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide
Molecular formula: C17H15N5O
Molecular weight: 305.33

Names & synonyms

Isozaleplon478081-98-0N-(3-(3-Cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl)-N-ethylacetamiden-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-n-ethylacetamideUNII-YP251266R0YP251266R0N-(3-(3-Cyanopyrazolo[1,5-alpha]pyrimidin-5-yl)phenyl)-N-ethylacetamideDTXSID50197297N-(3-(3-Cyanopyrazolo(1,5-a)pyrimidin-5-yl)phenyl)-N-ethylacetamideN-(3-(3-Cyanopyrazolo(1,5-alpha)pyrimidin-5-yl)phenyl)-N-ethylacetamideN-(3-{3-CYANOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL}PHENYL)-N-ETHYLACETAMIDEN-(3-(3-CYANOPYRAZOLO(1,5-.ALPHA.)PYRIMIDIN-5-YL)PHENYL)-N-ETHYLACETAMIDE

Show more names

Zaleplon USP Related Compound BN-(3-(3-Cyanopyrazolo[1,5-α]pyrimidin-5-yl)phenyl)-N-ethylacetamideN-(3-(3-Cyanopyrazolo[1,5-±]pyrimidin-5-yl)phenyl)-N-ethylacetamideAcetamide, N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethyl-

RefChem:150170DTXCID60119788N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethyl-acetamide7-(N-Ethylacetamidophenyl)-5-(N-ethylacetamidophenyl) ZaleplonAcetamide, N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethyl-; N-[3-(3-Cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide; Zaleplon RC B CIV (USP); Zaleplon Related Compound BZaleplon Impurity 17SCHEMBL3162849ZMUMYMWAIXXLIY-UHFFFAOYSA-N

Database identifiers

CAS: 478081-98-0
PubChem CID: 9879548
DTXSID: DTXSID50197297
UNII: YP251266R0
Nikkaji: J2.815.515H

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 74.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 487

Physicochemical properties

Melting point: 203 · 203-205 °C
Density: 1.25 · 1.25±0.1 g/cm3(Predicted)
pka: -1.4 · -1.40±0.50(Predicted)
FDA UNII: 251266 R0 · YP251266R0
HS Code: 9999999999 · 9999999999

Safety & regulation

Safety data

hs_code: 9999999999

Chemistry & industry

Applications · 1 item

Uses(N-[3-(3-Cyanopyrazolo[1,5-alpha]pyrimidin-5-yl)phenyl]-N-ethylacetamide) is used in the synthesis of Zaleplon (Z145000), which is a selective non-benzodiazepine GABAA receptor agonist, and a sedative-hypnotic, almost entirely used for the management/treatment of insomnia.