Home > Compound List > Compound details
83-15-8 molecular structure
click picture or here to close

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

ChemBase ID: 73511
Molecular Formular: C13H15N3O2
Molecular Mass: 245.2771
Monoisotopic Mass: 245.11642674
SMILES and InChIs

SMILES:
n1(c2ccccc2)c(=O)c(c(n1C)C)NC(=O)C
Canonical SMILES:
CC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
InChI:
InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
InChIKey:
OIAGWXKSCXPNNZ-UHFFFAOYSA-N

Cite this record

CBID:73511 http://www.chembase.cn/molecule-73511.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
IUPAC Traditional name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Synonyms
4-Acetamido-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
4-Acetamidophenazone
4-Acetamidoantipyrine 98%
4-ACETAMINOANTIPYRINE
4-Acetamidoantipyrine
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide
4-(N-Acetylamino)antipyrine
4-Acetylaminophenazone
Acetylaminoantipyrine
N-Acetyl-4-aminoantipyrine
N-Acetyl-4-aminophenazone
N-Antipyrinylacetamide
NSC 331807
4-Acetamido Antipyrine
4-乙酰氨基安替比林
CAS Number
83-15-8
EC Number
201-457-0
MDL Number
MFCD00003141
PubChem SID
24890565
162038430
PubChem CID
65743

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.5191555  H Acceptors
H Donor LogD (pH = 5.5) 0.15381297 
LogD (pH = 7.4) 0.15381026  Log P 0.15381318 
Molar Refractivity 69.4855 cm3 Polarizability 25.7951 Å3
Polar Surface Area 52.65 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
193-195°C expand Show data source
200-203 °C(lit.) expand Show data source
200-203°C expand Show data source
200-203°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C13H15N3O2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals TRC TRC
MP Biomedicals - 05213434 external link
MP Biomedicals Rare Chemical collection
Toronto Research Chemicals - A141500 external link
A metabolite of Metamizol. Metabolism of Metamizol in early stages of the incubated hen's egg.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Brunstrom, B., et al.: Arch. Toxicol., 57, 69 (1985)
  • • Lorr, N., et al.: Biochem. Pharmacol., 36, 3059 (1985)
  • • Niwa, T., et al.: Xenobiotica, 29, 187 (1985)
  • • Niwa, T., et al.: Biol. Pharm. Bull., 23, 498 (1985)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle