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Molecule
Ramifenazone
CAS: 3615-24-5 · C14H19N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3615-24-5
- Molecular Formula
- C14H19N3O
- Molecular Mass
- 245.33 g/mol
Identifiers
CAS Registry Number
3615-24-5
SMILES
Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C
InChI Key
XOZLRRYPUKAKMU-UHFFFAOYSA-N
InChI
InChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3
Names and Synonyms
- Ramifenazone Common Name
- 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[(1-methylethyl)amino]-2-phenyl- Synonym
- Antipyrine, 4-(isopropylamino)- Synonym
- 1,2-Dihydro-1,5-dimethyl-4-[(1-methylethyl)amino]-2-phenyl-3H-pyrazol-3-one Synonym
- Isopropylaminoantipyrine Synonym
- Isopropylaminophenazone Synonym
- 1-Phenyl-2,3-dimethyl-4-(isopropylamino)-2-pyrazolin-5-one Synonym
- Isopyrine Synonym
- Isopyrin Synonym
- 4-(Isopropylamino)antipyrine Synonym
- 4-Isopropylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one Synonym
- 1-Phenyl-2,3-dimethyl-4-isopropylaminopyrazolone Synonym
- 4-Monoisopropylamino-1-phenyl-2,3-dimethyl-5-pyrazolone Synonym
- Isopirina Synonym
- 4-(Isopropylamino)phenazone Synonym
- Ramifenazone Synonym
- 1,5-Dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one Synonym
- 1,5-Dimethyl-2-phenyl-4-[(propan-2-yl)amino]-2,3-dihydro-1H-pyrazol-3-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 245.33 g/mol | CAS Common Chemistry |
| 245.326 g/mol | RDKit | |
| Canonical SMILES | O=C1C(NC(C)C)=C(N(N1C=2C=CC=CC2)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XOZLRRYPUKAKMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80 °C | CAS Common Chemistry |
| Name | Ramifenazone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 2 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.96 Ų | RDKit |
| LogP | 2.3047200000000005 | RDKit |
| 2.3047 | RDKit | |
| 2.12 | chempirical lib | |
| Molar Refractivity | 74.50570000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3571 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 245.152812228 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 |
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200 ppm
180
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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 = 245.33 g/mol. Edit any field — others recompute live.
