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Molecule
Zaleplon
CAS: 151319-34-5 · C17H15N5O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 151319-34-5
- Molecular Formula
- C17H15N5O
- Molecular Mass
- 305.34 g/mol
Identifiers
CAS Registry Number
151319-34-5
SMILES
CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1
InChI Key
HUNXMJYCHXQEGX-UHFFFAOYSA-N
InChI
InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3
Names and Synonyms
- Zaleplon Synonym
- Acetamide, N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethyl- Synonym
- Pyrazolo[1,5-a]pyrimidine, acetamide deriv. Synonym
- N-[3-(3-Cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide Synonym
- CL 284846 Synonym
- Zaleplon Synonym
- LJC 10846 Synonym
- L 846 Synonym
- Sonata Synonym
- Siesta Synonym
- Zerene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.34 g/mol | CAS Common Chemistry |
| 305.341 g/mol | RDKit | |
| Canonical SMILES | N#CC=1C=NN2C1N=CC=C2C=3C=CC=C(C3)N(C(=O)C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HUNXMJYCHXQEGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 184-186 °C | CAS Common Chemistry |
| Name | Zaleplon | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| 4 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 74.28999999999999 Ų | RDKit |
| 74.29 Ų | RDKit | |
| LogP | 2.6407800000000003 | RDKit |
| 2.6408 | RDKit | |
| Molar Refractivity | 86.83900000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1765 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 305.12766010000007 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 305.34 g/mol. Edit any field — others recompute live.
