2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H13N3O — CID 2818800

IUPAC2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2cc(-c3ccccc3)[nH]n12
InChIInChI=1S/C18H13N3O/c22-18-12-15(13-7-3-1-4-8-13)19-17-11-16(20-21(17)18)14-9-5-2-6-10-14/h1-12,20H
InChIKeyVNKCQGVSPOWIEY-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.36
Rot. Bonds2

About 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2818800) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2818800
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2cc(-c3ccccc3)[nH]n12
InChIInChI=1S/C18H13N3O/c22-18-12-15(13-7-3-1-4-8-13)19-17-11-16(20-21(17)18)14-9-5-2-6-10-14/h1-12,20H
InChIKeyVNKCQGVSPOWIEY-UHFFFAOYSA-N
XLogP3.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2818800) is 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2cc(-c3ccccc3)[nH]n12.
What is the InChIKey of 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VNKCQGVSPOWIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-18-12-15(13-7-3-1-4-8-13)19-17-11-16(20-21(17)18)14-9-5-2-6-10-14/h1-12,20H.
What are the key properties of 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 287.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2818800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).