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Molecule
Feprazone
CAS: 30748-29-9 · C20H20N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 30748-29-9
- Molecular Formula
- C20H20N2O2
- Molecular Mass
- 320.39 g/mol
Identifiers
CAS Registry Number
30748-29-9
SMILES
CC(C)=CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChI Key
RBBWCVQDXDFISW-UHFFFAOYSA-N
InChI
InChI=1S/C20H20N2O2/c1-15(2)13-14-18-19(23)21(16-9-5-3-6-10-16)22(20(18)24)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3
Names and Synonyms
- Feprazone Synonym
- 3,5-Pyrazolidinedione, 4-(3-methyl-2-buten-1-yl)-1,2-diphenyl- Synonym
- 3,5-Pyrazolidinedione, 4-(3-methyl-2-butenyl)-1,2-diphenyl- Synonym
- 4-(3-Methyl-2-buten-1-yl)-1,2-diphenyl-3,5-pyrazolidinedione Synonym
- Zepelin Synonym
- DA 2370 Synonym
- Fenilprenazone Synonym
- Prenazone Synonym
- 4-Prenyl-1,2-diphenyl-3,5-pyrazolidinedione Synonym
- 4-(3-Methyl-2-butenyl)-1,2-diphenyl-3,5-pyrazolidinedione Synonym
- 4-Prenyl-1,2-diphenyl-3,5-dioxopyrazolidine Synonym
- 4-(2-Isopentenyl)-1,2-diphenyl-3,5-pyrazolidinedione Synonym
- Feprazone Synonym
- Pheprazone Synonym
- Metrazone Synonym
- Analud Synonym
- Methrazone Synonym
- Phenylprenazone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 320.39 g/mol | CAS Common Chemistry |
| 320.3920000000001 g/mol | RDKit | |
| 320.392 g/mol | RDKit | |
| Canonical SMILES | O=C1N(C=2C=CC=CC2)N(C=3C=CC=CC3)C(=O)C1CC=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H20N2O2/c1-15(2)13-14-18-19(23)21(16-9-5-3-6-10-16)22(20(18)24)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RBBWCVQDXDFISW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 156.5 °C | CAS Common Chemistry |
| Name | Feprazone | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.620000000000005 Ų | RDKit |
| 40.62 Ų | RDKit | |
| 40.16 Ų | chempirical lib | |
| LogP | 3.9539000000000026 | RDKit |
| 3.9539 | RDKit | |
| Molar Refractivity | 95.39400000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 320.15247787999994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
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| 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.
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MW = 320.39 g/mol. Edit any field — others recompute live.
