Antipyrine

C₁₁H₁₂N₂OCAS 60-80-0188.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂N₂O
Molar mass: 188.23 g/mol
Exact mass: 188.0950 Da
Density: 1.19 g/mL
Melting point: 113 °C
Boiling point: 319 °C
logP: 1.48Crippen estimate
Polar surface area: 26.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed99.5% of notifiers
H315 Causes skin irritation54.9% of notifiers
H317 May cause an allergic skin reaction46.2% of notifiers
H319 Causes serious eye irritation54.9% of notifiers
H335 May cause respiratory irritation54.3% of notifiers

Aggregated from 184 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

60-80-0

SMILES

Cc1cc(=O)n(-c2ccccc2)n1C

InChIKey

VEQOALNAAJBPNY-UHFFFAOYSA-N

InChI

InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

36 names · show all

3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-
1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
Analgesine
Anodynine
Dimethyloxychinizin
Dimethyloxyquinazine
2,3-Dimethyl-1-phenyl-3-pyrazolin-5-one
2,3-Dimethyl-1-phenyl-5-pyrazolone
Fenazone
Oxydimethylquinazine
Parodyne
Phenazone
1-Phenyl-2,3-dimethyl-5-pyrazolone
Sedatine
Phenazone (pharmaceutical)
Azophen
Phenylone
Antipyrin
Phenazon
Antipirin
Phenylon
Anodynin
Pyrazophyl
Sedatin
Methozin
Apirelina
Azophene
Analgesin
Dentigoa N
Eu-Med mono
1,5-Dimethyl-2-phenyl-1,2-dihydropyrazol-3-one
NSC 7945
1,5-Dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
1,5-Dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
1,5-Dimethyl-2-phenylpyrazol-3-one
1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

Work with Antipyrine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ampyrone83-07-845 % similar 3-Methyl-1-phenylpyrazolone19735-89-845 % similar Diantipyrylmethane1251-85-044 % similar 4-Iodoantipyrine129-81-744 % similar 4-Aminoantipyrine hydrochloride22198-72-742 % similar Propyphenazone479-92-542 % similar Aminopyrine58-15-142 % similar 2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde950-81-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(1-Benzyl-1H-imidazol-2-yl)methanol5376-10-3 (-)-Vasicine6159-55-3 1-p-Tolyl-3-methyl-5-pyrazolone86-92-0 3-[(4-Formylphenyl)methylamino]propanenitrile94-21-3

Elsewhere

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