1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C11H8N4O — CID 135408735

IUPAC1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2-c1ccccc1
InChIInChI=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)
InChIKeyGDZQGHGCKKWNAC-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.11
Rot. Bonds1

About 1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135408735) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135408735
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2-c1ccccc1
InChIInChI=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)
InChIKeyGDZQGHGCKKWNAC-UHFFFAOYSA-N
XLogP1.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136992687
cis-(1S,2R)-2-methyl-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 136789630
2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 138989700
1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 163752551
2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 167896175
(Z)-4,4,4-trifluoro-N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]-3-phenylbut-2-enamide
CID 137296764
2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 146075407
1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135876286
8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one
CID 136608400
1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 2387016
1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
S-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl) carbamothioate
CID 88782245

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135408735) is 1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GDZQGHGCKKWNAC-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 212.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135408735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).