chempirical

1-(4-Chlorophenyl)-3-methyl-5-pyrazolone

C10H9ClN2OCAS 13024-90-3208.64 g/mol

Open in Covalent MOL file
NNClO
AmideAryl halideHydrazoneLactam

Properties

Molecular formula
C10H9ClN2O
Molar mass
208.64 g/mol
Exact mass
208.0403 Da
Melting point
168 °C
logP
2.45Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
13024-90-3
SMILES
CC1=NN(c2ccc(Cl)cc2)C(=O)C1
InChIKey
WHIXQFSPEDIMGL-UHFFFAOYSA-N
InChI
InChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3

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Names and synonyms

10 names
  • 3H-Pyrazol-3-one, 2-(4-chlorophenyl)-2,4-dihydro-5-methyl-
  • 2-Pyrazolin-5-one, 1-(p-chlorophenyl)-3-methyl-
  • 2-(4-Chlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
  • 3-Methyl-1-(4-chlorophenyl)-5-pyrazolone
  • 1-(4-Chlorophenyl)-3-methyl-4,5-dihydropyrazole-5-one
  • 3-Methyl-1-(4-chlorophenyl)-2-pyrazolin-5-one
  • 1-(4-Chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
  • 3-Methyl-1-(4′-chlorophenyl)-2-pyrazolin-5-one
  • 2-(4-Chlorophenyl)-5-methyl-4H-pyrazol-3-one
  • 2-(4-Chloro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one

Work with 1-(4-Chlorophenyl)-3-methyl-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

1-P-Tolyl-3-methyl-5-pyrazolone86-92-072 % similar Edaravone89-25-871 % similar 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid60875-16-365 % similar 2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one18048-64-163 % similar 1-(4-Nitrophenyl)-3-methyl-5-pyrazolone6402-09-162 % similar 1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone89-36-162 % similar 1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone119-17-553 % similar 3-Methyl-1-(3-sulfamidophenyl)-5-pyrazolone89-29-253 % similar

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

Same formula

1-(2-Chlorophenyl)-3-methyl-5-pyrazolone14580-22-4 1-(3-Chlorophenyl)-3-methyl-5-pyrazolone90-31-3

Elsewhere

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