chempirical

1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone

C12H12N2OCAS 6123-63-3200.24 g/mol

Open in Covalent MOL file
ONN
Ketone

Properties

Molecular formula
C12H12N2O
Molar mass
200.24 g/mol
Exact mass
200.0950 Da
Melting point
107–108 °C
logP
2.38Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
6123-63-3
SMILES
CC(=O)c1cnn(-c2ccccc2)c1C
InChIKey
FZEDJUVQMGBVRC-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O/c1-9-12(10(2)15)8-13-14(9)11-6-4-3-5-7-11/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Ethanone, 1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-
  • Ketone, methyl 5-methyl-1-phenylpyrazol-4-yl
  • 1-Phenyl-4-acetyl-5-methylpyrazole
  • 4-Acetyl-5-methyl-1-phenylpyrazole
  • NSC 140728
  • 1-(5-Methyl-1-phenylpyrazol-4-yl)ethanone

Work with 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone

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

1,2-Diacetylbenzene704-00-744 % similar 1-Phenyl-5-propyl-1H-pyrazole-4-carboxylic acid116344-17-343 % similar 2′-Methylacetophenone577-16-242 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-042 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride175137-14-142 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-81-742 % similar Ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate112055-34-240 % similar Acetophenone98-86-239 % similar

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

Same formula

4,4'-Oxydianiline101-80-4 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-B]indol-1-one122852-75-9 3,3′-Diaminodiphenyl ether15268-07-2 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde22042-79-1 2-Amino-3-benzyloxypyridine24016-03-3 3,4′-Diaminodiphenyl ether2657-87-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook