7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C12H9N3O2 — CID 135718547

IUPAC7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1[nH]c2ccnn2c(O)c1-c1ccccc1
InChIInChI=1S/C12H9N3O2/c16-11-10(8-4-2-1-3-5-8)12(17)15-9(14-11)6-7-13-15/h1-7,17H,(H,14,16)
InChIKeyJXBKVUJPSLQWHX-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.40
Rot. Bonds1

About 7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135718547) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135718547
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1[nH]c2ccnn2c(O)c1-c1ccccc1
InChIInChI=1S/C12H9N3O2/c16-11-10(8-4-2-1-3-5-8)12(17)15-9(14-11)6-7-13-15/h1-7,17H,(H,14,16)
InChIKeyJXBKVUJPSLQWHX-UHFFFAOYSA-N
XLogP1.40
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135718547) is 7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1[nH]c2ccnn2c(O)c1-c1ccccc1.
What is the InChIKey of 7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JXBKVUJPSLQWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-11-10(8-4-2-1-3-5-8)12(17)15-9(14-11)6-7-13-15/h1-7,17H,(H,14,16).
What are the key properties of 7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 227.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135718547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).