4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine

C₁₁H₉N₅CAS 5334-30-5211.23 g/mol

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Properties

Molecular formula: C₁₁H₉N₅
Molar mass: 211.23 g/mol
Exact mass: 211.0858 Da
logP: 1.40Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5334-30-5

SMILES

C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)N

InChIKey

KKDPIZPUTYIBFX-UHFFFAOYSA-N

InChI

InChI=1S/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)

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Names and synonyms

1 names

Pp3

Work with 4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine

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

1,5-Dihydro-1-phenyl-4H-pyrazolo[3,4-d]pyrimidin-4-one21314-17-063 % similar 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile5334-43-040 % similar Chloridazon1698-60-837 % similar 5-Amino-1-phenyl-4-pyrazolecarboxamide50427-77-537 % similar Furo[2,3-d]pyrimidin-4-amine186454-70-634 % similar Pyrrolo[2,1-f][1,2,4]triazin-4-amine159326-68-833 % 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

Elsewhere

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