5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H12N4O — CID 70925503

IUPAC5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C17H12N4O/c22-16-10-15(12-6-2-1-3-7-12)20-17-13(11-19-21(16)17)14-8-4-5-9-18-14/h1-11,19H
InChIKeyALYWCUHEJDSDIA-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.75
Rot. Bonds2

About 5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925503) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925503
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C17H12N4O/c22-16-10-15(12-6-2-1-3-7-12)20-17-13(11-19-21(16)17)14-8-4-5-9-18-14/h1-11,19H
InChIKeyALYWCUHEJDSDIA-UHFFFAOYSA-N
XLogP2.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925503) is 5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2c(-c3ccccn3)c[nH]n12.
What is the InChIKey of 5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ALYWCUHEJDSDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-16-10-15(12-6-2-1-3-7-12)20-17-13(11-19-21(16)17)14-8-4-5-9-18-14/h1-11,19H.
What are the key properties of 5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 288.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).