1,5-dimethyl-2-phenyl-4-{[(2H7)propan-2-yl]amino}-2,3-dihydro-1H-pyrazol-3-one

• ChemBase ID: 177345
• Molecular Formular: C14H19N3O
• Molecular Mass: 245.32016
• Monoisotopic Mass: 245.15281224
• SMILES: c1(c(n(n(c1=O)c1ccccc1)C)C)NC(C)C
• Canonical SMILES: CC(Nc1c(C)n(n(c1=O)c1ccccc1)C)C
• 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
• InChIKey: XOZLRRYPUKAKMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethyl-2-phenyl-4-{[(^2H₇)propan-2-yl]amino}-2,3-dihydro-1H-pyrazol-3-one
• IUPAC Traditional name: 1,5-dimethyl-2-phenyl-4-[(^2H₇)propan-2-ylamino]pyrazol-3-one
• Synonyms: 1,2-Dihydro-1,5-dimethyl-4-[(1-methylethyl-d7)amino]-2-phenyl-3H-pyrazol-3-one; 4-(Isopropylamino-d7)antipyrine; 1-Phenyl-2,3-dimethyl-4-(isopropyl-d7)aminopyrazolone; 4-(Isopropylamino-d7)phenazone; 4-(Isopropyl-d7)amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one; 4-Mono(isopropyl-d7)amino-1-phenyl-2,3-dimethyl-5-pyrazolone; Isopirina-d7; (Isopropyl-d7)aminophenazone; Isopyrin-d7; Isopyrine-d7; Ramifenazone-d7

Database IDs

• PubChem SID: 164233255
• PubChem CID: 71751962

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5408959
• LogD (pH = 7.4): 1.5409296
• Log P: 1.5409299
• Molar Refractivity: 73.9837 cm^3
• Polarizability: 27.55366 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - R110502

Labelled Ramifenazone (R110500). Analgesic, antipyretic, anti-inflammatory.

REFERENCES

• Tubaro, E., et al.: Arzneim.-Forsch., 20, 1024 (1970)