chempirical

1-Phenyl-3-carboxy-5-pyrazolone

C10H8N2O3CAS 119-18-6204.19 g/mol

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OHONNO
AmideCarboxylic acidHydrazoneLactam

Properties

Molecular formula
C10H8N2O3
Molar mass
204.19 g/mol
Exact mass
204.0535 Da
Melting point
260 °C (decomposes)
logP
0.86Crippen estimate
Polar surface area
70.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
119-18-6
SMILES
O=C(O)C1=NN(c2ccccc2)C(=O)C1
InChIKey
IMZSHPUSPMOODC-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)

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

Names and synonyms

7 names
  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-
  • 2-Pyrazoline-3-carboxylic acid, 5-oxo-1-phenyl-
  • 4,5-Dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid
  • 1-Phenyl-5-pyrazolone-3-carboxylic acid
  • 3-Carboxy-1-phenyl-5-pyrazolone
  • 3-Carboxy-1-phenyl-2-pyrazolin-5-one
  • 5-Oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid

Work with 1-Phenyl-3-carboxy-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-(4′-Sulfophenyl)-3-carboxy-5-pyrazolone118-47-865 % similar 1-Phenyl-3-carbethoxy-5-pyrazolone89-33-857 % similar Edaravone89-25-856 % similar 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid60875-16-343 % similar Sodium 1-(4-sulfophenyl)-5-pyrazolone-3-carboxylate52126-51-942 % similar 1-(3-Chlorophenyl)-3-methyl-5-pyrazolone90-31-340 % similar 1-(4-Chlorophenyl)-3-methyl-5-pyrazolone13024-90-340 % similar 1-P-Tolyl-3-methyl-5-pyrazolone86-92-040 % similar

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

Same formula

Tyrphostin A46122520-85-8 6-Methoxy-8-nitroquinoline85-81-4

Elsewhere

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