chempirical

1-Phenyl-3-methyl-4-benzoyl-5-pyrazolone

C17H14N2O2CAS 4551-69-3278.31 g/mol

Open in Covalent MOL file
NNOO
AmideHydrazoneKetoneLactam

Properties

Molecular formula
C17H14N2O2
Molar mass
278.31 g/mol
Exact mass
278.1055 Da
Melting point
85 °C
logP
2.91Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
4551-69-3
SMILES
CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccccc1
InChIKey
JDOLPAMOKSAEMD-UHFFFAOYSA-N
InChI
InChI=1S/C17H14N2O2/c1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14/h2-11,15H,1H3

Weigh it out

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

Names and synonyms

16 names · show all
  • 3H-Pyrazol-3-one, 4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-
  • 2-Pyrazolin-5-one, 4-benzoyl-3-methyl-1-phenyl-
  • 4-Benzoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
  • 4-Benzoyl-3-methyl-1-phenyl-5-pyrazolone
  • 4-Benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one
  • 1-Phenyl-3-methyl-4-benzoylpyrazolin-5-one
  • 1-Phenyl-3-methyl-4-benzoyl-2-pyrazolin-5-one
  • 3-Methyl-1-phenyl-4-benzoyl-2-pyrazolin-5-one
  • 1-Phenyl-3-methyl-4-benzoylpyrazolone
  • 1-Phenyl-3-methyl-4-benzoylpyrazolone-5
  • PMBP
  • 1,4-Dihydro-1-phenyl-3-methyl-4-benzoyl-5H-pyrazol-5-one
  • 4-Benzoyl-1-phenyl-3-methylpyrazol-5-one
  • NSC 144647
  • 1-Phenyl-3-methyl-4-benzoyl-1H-pyrazol-5(4H)-one
  • 4-Benzoyl-5-methyl-2-phenyl-2H-pyrazol-3(4H)-one

Work with 1-Phenyl-3-methyl-4-benzoyl-5-pyrazolone

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

2-Benzoyl-1H-indene-1,3(2H)-dione1785-95-143 % similar 2-Chloro-1-phenyl-1-propanone6084-17-940 % similar 2,2-Dichloroacetophenone2648-61-540 % similar 2-Fluoro-1-phenyl-1-propanone21120-36-537 % similar (±)-Benzoin methyl ether3524-62-735 % similar 2,2-Diethoxyacetophenone6175-45-735 % similar 2-Bromo-1,2-diphenylethanone1484-50-034 % similar (±)-Benzoin579-44-234 % similar

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

Same formula

Bisphenol A dicyanate1156-51-0 Sudan red G1229-55-6

Elsewhere

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