chempirical

2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde

C12H12N2O2CAS 950-81-2216.24 g/mol

Open in Covalent MOL file
OONN
Aldehyde

Properties

Molecular formula
C12H12N2O2
Molar mass
216.24 g/mol
Exact mass
216.0899 Da
Melting point
161 °C
logP
1.30Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
950-81-2
SMILES
Cc1c(C=O)c(=O)n(-c2ccccc2)n1C
InChIKey
QFYZFYDOEJZMDX-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O2/c1-9-11(8-15)12(16)14(13(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.

Names and synonyms

13 names · show all
  • 4-Formylantipyrine
  • 1H-Pyrazole-4-carboxaldehyde, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-
  • Antipyraldehyde
  • 2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxaldehyde
  • 2,3-Dimethyl-4-formyl-1-phenyl-5-pyrazolone
  • 4-Antipyrinecarboxaldehyde
  • 2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazoline-4-carboxaldehyde
  • 4-Formyl-2,3-dimethyl-1-phenyl-3-pyrazoline-5-one
  • 4-Formyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
  • NSC 60408
  • 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxaldehyde
  • 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde
  • 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde

Work with 2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde

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 Aminopyrine58-15-157 % similar Ramifenazone3615-24-553 % similar 4-Acetylaminoantipyrine83-15-851 % similar

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

Same formula

4,4'-Bis(hydroxymethyl)-2,2'-bipyridine109073-77-0 4,4'-Dimethoxy-2,2'-bipyridyl17217-57-1 3,3′-Dihydroxy-4,4′-diaminobiphenyl2373-98-0 2-(1-Naphthyloxy)acetohydrazide24310-15-4 2-(3,5-Dimethyl-1H-pyrazol-4-yl)benzoic acid321309-43-7 2,2′-(1,3-Phenylene)bis(2-oxazoline)34052-90-9 (3S)-1H,2H,3H,4H,9H-Pyrido(3,4-b)indole-3-carboxylic acid42438-90-4 2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole5044-22-4

Elsewhere

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