2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C11H8N4O — CID 135911551

IUPAC2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2cn(-c3ccccc3)nc12
InChIInChI=1S/C11H8N4O/c16-11-10-9(12-7-13-11)6-15(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13,16)
InChIKeyOQHWVAQCLKFQMO-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.11
Rot. Bonds1

About 2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135911551) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135911551
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2cn(-c3ccccc3)nc12
InChIInChI=1S/C11H8N4O/c16-11-10-9(12-7-13-11)6-15(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13,16)
InChIKeyOQHWVAQCLKFQMO-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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135911551) is 2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is O=c1[nH]cnc2cn(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is OQHWVAQCLKFQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-10-9(12-7-13-11)6-15(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13,16).
What are the key properties of 2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-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 2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135911551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).