Basic information
- CAS
15387-10-7- Standard SMILES
Cc1c(N(CNC(=O)c2cccnc2)C(C)C)c(=O)n(-c2ccccc2)n1C- InChIKey
MZQAQBDIKUFBSF-UHFFFAOYSA-N- Molecular formula
- C21H25N5O2
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.20082506
Overview
Niprofazone is a small molecule drug. The usage of the INN stem '-azone' in the name indicates that Niprofazone is a anti-inflammatory analgesic, phenylbutazone derivative. Niprofazone has a monoisotopic molecular weight of 379.2 Da.
Names & identifiers
- Preferred name
- Niprofazone
- IUPAC
- N-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-propan-2-ylamino]methyl]pyridine-3-carboxamide
- English name
- Niprofazone
- Molecular formula
- C21H25N5O2
- Molecular weight
- 379.46
Names & synonyms
NiprofazoneNiprofazonaNiprofazone [INN]15387-10-7NiprofazonumRA 101Niprofazonum [INN-Latin]Ra 101 (pharmaceutical)Niprofazona [INN-Spanish]NicotinamidomethylaminopyrazoloneUNII-0A995E1KA6BRN 0766712
Show more names
RA-101【pharmaceutical】N-[[(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)(1-methylethyl)amino]methyl]nicotinamideN-[[(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)(1-methylethyl)amino]methyl]-3-pyridinecarboxamide3-Pyridinecarboxamide, N-[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)(1-methylethyl)amino]methyl]-
N-((Antipyrinylisopropylamino)methyl)nicotinamide0A995E1KA6DTXSID201654685-25-14-00124 (Beilstein Handbook Reference)1-Phenyl-2,3-dimethyl-4(N-nicotinamidomethyl-N-isopropyl)amino-5-pyrazolone5-Pyrazolone, 1-phenyl-2,3-dimethyl-4-(N-nicotinamidomethyl-N-isopropyl)amino-Nicotinamide, N-((antipyrinylisopropylamino)methyl)-N-(N-(2,5-Dihydro-2,3-dimethyl-5-oxo-1-phenyl-4-pyrazolyl)-N-isopropylaminomethyl)nicotinamid
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Melting point
- 165.5 °C · 165.5°C
- Boiling point
- 507.31 °C · 507.31°C (rough estimate)
- Density
- 1.2046 · 1.2046 (rough estimate)
- refractive index
- 1.76 · 1.7600 (estimate)
- pka
- 13.62 · 13.62±0.46(Predicted)
- form
- Solid
- FDA UNII
- 0 A995E1KA6 · 0A995E1KA6
- Toxicity
- 50 ipr-rat: · LD50 ipr-rat: 400 mg/kg ARZNAD 20,1024,70
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 ipr-rat: 400 mg/kg ARZNAD 20,1024,70
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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