chempirical

1,9-Pyrazoloanthrone

C14H8N2OCAS 129-56-6220.23 g/mol

Open in Covalent MOL file
ONNH
Ketone

Properties

Molecular formula
C14H8N2O
Molar mass
220.23 g/mol
Exact mass
220.0637 Da
Melting point
277–278 °C
logP
2.77Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
129-56-6
SMILES
O=C1c2ccccc2-c2n[nH]c3cccc1c23
InChIKey
ACPOUJIDANTYHO-UHFFFAOYSA-N
InChI
InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)

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

Names and synonyms

11 names
  • Anthra[1,9-cd]pyrazol-6(2H)-one
  • C.I. 70300
  • Pyrazoleanthrone
  • Pyrazolanthrone
  • SP 600125
  • NSC 75890
  • 2H-Dibenzo[cd,g]indazol-6-one
  • 1PMV
  • JNK inhibitor II
  • 420119 JNK inhibitor II
  • 14,15-Diazatetracyclo[7.6.1.0[2,7].0[13,16]]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

Work with 1,9-Pyrazoloanthrone

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

Vat yellow 1475-71-851 % similar Fluorenone486-25-948 % similar Violanthrone116-71-245 % similar Isoviolanthrone128-64-345 % similar 3-Bromobenzanthrone81-96-943 % similar Pyranthrone128-70-143 % similar 3-Naphthoylindole109555-87-540 % similar Fluorenone-4-carboxylic acid6223-83-240 % similar

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

Elsewhere

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