Aminopyrine

C13H17N3OCAS 58-15-1231.30 g/mol

Open in Covalent MOL file
NONN
Tertiary amine

Properties

Molecular formula
C13H17N3O
Molar mass
231.30 g/mol
Exact mass
231.1372 Da
Melting point
107–109 °C
pKa
5
Water solubility
≥ 100 g/L (22.2 °C)
logP
1.55Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
58-15-1
SMILES
Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C
InChIKey
RMMXTBMQSGEXHJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3

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Names and synonyms

55 names · show all
  • 3H-Pyrazol-3-one, 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-
  • Antipyrine, 4-(dimethylamino)-
  • 3-Pyrazolin-5-one, 4-(dimethylamino)-2,3-dimethyl-1-phenyl-
  • 4-(Dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
  • Amidazophen
  • Amidofebrin
  • Amidophenazone
  • Amidopyrazoline
  • Amidopyrine
  • Aminophenazone
  • Anafebrina
  • Dereuma
  • Dimapyrin
  • (Dimethylamino)analgesine
  • 4-Dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
  • 4-Dimethylamino-2,3-dimethyl-1-phenyl-5-pyrazolone
  • 4-Dimethylamino-1-phenyl-2,3-dimethylpyrazolone
  • 3-Keto-1,5-dimethyl-4-dimethylamino-2-phenyl-2,3-dihydropyrazole
  • 1,5-Dimethyl-4-dimethylamino-2-phenyl-3-pyrazolone
  • 2,3-Dimethyl-4-dimethylamino-1-phenyl-5-pyrazolone
  • Dipirin
  • Dipyrine
  • Febrinina
  • Novamidon
  • 1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazol-5-one
  • 1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazolone-5
  • Piridol
  • Polinalin
  • Pyradone
  • Pyramidone
  • Pyramidon
  • 4-(Dimethylamino)antipyrine
  • (Dimethylamino)antipyrine
  • Dimethylaminoazophene
  • (Dimethylamino)phenazone
  • Amidophen
  • Brufaneuxol
  • Itamidone
  • 2,3-Dimethyl-4-dimethylamino-1-phenyl-3-pyrazolin-5-one
  • Aminophenazon
  • Amidopyrin
  • Aminopyrin
  • Piramidon
  • Piromidina
  • Febron
  • Dipyrin
  • 4-Dimethylaminophenazone
  • Amidazophene
  • Amidofen
  • Piramidone
  • 4-N,N-Dimethylaminoantipyrine
  • Netsusarin
  • Mamallet A
  • Dimethylaminophenyldimethylpyrazone
  • NSC 4993

Work with Aminopyrine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ampyrone83-07-862 % similar Diantipyrylmethane1251-85-060 % similar 4-Iodoantipyrine129-81-760 % similar 4-Aminoantipyrine hydrochloride22198-72-757 % similar Propyphenazone479-92-557 % similar 2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde950-81-257 % similar Dipyrone68-89-357 % similar Dipyrone monohydrate5907-38-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one1021-25-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook