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

C10H9N3O3CAS 6402-09-1219.20 g/mol

Open in Covalent MOL file
NNN+OO−O
AmideHydrazoneLactamNitro

Properties

Molecular formula
C10H9N3O3
Molar mass
219.20 g/mol
Exact mass
219.0644 Da
Melting point
218 °C
logP
1.71Crippen estimate
Polar surface area
75.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number
6402-09-1
SMILES
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1
InChIKey
MYPAMGFTHVEING-UHFFFAOYSA-N
InChI
InChI=1S/C10H9N3O3/c1-7-6-10(14)12(11-7)8-2-4-9(5-3-8)13(15)16/h2-5H,6H2,1H3

Weigh it out

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Names and synonyms

12 names
  • 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-
  • 2-Pyrazolin-5-one, 3-methyl-1-(p-nitrophenyl)-
  • 2,4-Dihydro-5-methyl-2-(4-nitrophenyl)-3H-pyrazol-3-one
  • 3-Methyl-N′-(p-nitrophenyl)-5-pyrazolone
  • 1-p-Nitrophenyl-3-methyl-5-pyrazolone
  • 3-Methyl-1-(4-nitrophenyl)-5-pyrazolone
  • 3-Methyl-1-(4-nitrophenyl)-2-pyrazolin-5-one
  • NSC 15353
  • 1-(4-Nitrophenyl)-3-methyl-2-pyrazolin-5-one
  • 2,4-Dihydro-2-(p-nitrophenyl)-5-methyl-3H-pyrazol-3-one
  • 3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one
  • 3-Methyl-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one

Work with 1-(4-Nitrophenyl)-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

2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one30818-17-864 % similar 1-(4-Chlorophenyl)-3-methyl-5-pyrazolone13024-90-362 % similar 1-p-Tolyl-3-methyl-5-pyrazolone86-92-062 % similar Mci-18689-25-861 % similar 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid60875-16-357 % similar 2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one18048-64-154 % similar 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid89-36-154 % similar 2-Chloro-N-methyl-N-(4-nitro-phenyl)-acetamide2653-16-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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