chempirical

1,5-Dihydro-1-phenyl-4H-pyrazolo[3,4-D]pyrimidin-4-one

C11H8N4OCAS 21314-17-0212.21 g/mol

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HONNNN
Phenol

Properties

Molecular formula
C11H8N4O
Molar mass
212.21 g/mol
Exact mass
212.0698 Da
Melting point
299 °C
logP
1.52Crippen estimate
Polar surface area
63.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
21314-17-0
SMILES
Oc1ncnc2c1cnn2-c1ccccc1
InChIKey
GDZQGHGCKKWNAC-UHFFFAOYSA-N
InChI
InChI=1S/C11H8N4O/c16-11-9-6-14-15(10(9)12-7-13-11)8-4-2-1-3-5-8/h1-7H,(H,12,13,16)

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Names and synonyms

9 names
  • 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-phenyl-
  • 1H-Pyrazolo[3,4-d]pyrimidin-4-ol, 1-phenyl-
  • 1-Phenylallopurinol
  • 4-Hydroxy-1-phenylpyrazolo[3,4-d]pyrimidine
  • NSC 3954
  • 1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
  • 1-Phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
  • 1-Phenyl-1H-Pyrazolo[3,4-d]pyrimidine-4-ol
  • 1-Phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

Work with 1,5-Dihydro-1-phenyl-4H-pyrazolo[3,4-D]pyrimidin-4-one

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

Quinazolinone491-36-143 % similar 7-Deazahypoxanthine3680-71-535 % similar 6-Iodo-4(3H)-quinazolinone16064-08-735 % similar 1-Phenyl-3-hydroxy-1,2,4-triazole4231-68-934 % similar 1(2H)-Isoquinolinone491-30-533 % similar 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile5334-43-033 % similar 4,5-Dibromo-2-phenyl-3(2H)-pyridazinone14305-08-933 % similar 4,5-Dichloro-2-phenyl-3(2H)-pyridazinone1698-53-933 % similar

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

Same formula

4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile189956-45-4

Elsewhere

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