1-(2-Chlorophenyl)-3-methyl-5-pyrazolone

C10H9ClN2OCAS 14580-22-4208.64 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
199 °C
logP
2.45Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
14580-22-4
SMILES
CC1=NN(c2ccccc2Cl)C(=O)C1
InChIKey
CWESERWNUIUBJU-UHFFFAOYSA-N
InChI
InChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-
  • 2-Pyrazolin-5-one, 1-(o-chlorophenyl)-3-methyl-
  • 2-(2-Chlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
  • 1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one
  • 1-(2-Chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
  • 2-(2-Chlorophenyl)-5-methyl-2,4-dihydropyrazol-3-one
  • 2-(2-Chlorophenyl)-5-methyl-4H-pyrazol-3-one
  • 2-(2-Chloro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one

Work with 1-(2-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

Mci-18689-25-866 % similar 1-(2′-Chloro-5′-sulfophenyl)-3-methyl-5-pyrazolone88-76-663 % similar 1-(2′,5′-Dichloro-4′-sulfophenyl)-3-methyl-5-pyrazolone84-57-157 % similar 1-p-Tolyl-3-methyl-5-pyrazolone86-92-055 % similar 2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one18048-64-155 % similar 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid60875-16-353 % similar 1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone119-17-553 % similar M-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-YL)benzenesulfonamide89-29-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Chlorophenyl)-3-methyl-5-pyrazolone13024-90-3 2-Chloromethyl-5-(4-methylphenyl)-1,3,4-oxadiazole287197-95-9 3-Methyl-1-(3'-chlorophenyl)-2-pyrazolin-5-one90-31-3

Elsewhere

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