2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H12FN3O — CID 1232838

IUPAC2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)[nH]n12
InChIInChI=1S/C18H12FN3O/c19-14-8-6-13(7-9-14)16-10-17-20-15(11-18(23)22(17)21-16)12-4-2-1-3-5-12/h1-11,21H
InChIKeyIBTRHLNDPMKNFK-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.50
Rot. Bonds2

About 2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1232838) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1232838
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)[nH]n12
InChIInChI=1S/C18H12FN3O/c19-14-8-6-13(7-9-14)16-10-17-20-15(11-18(23)22(17)21-16)12-4-2-1-3-5-12/h1-11,21H
InChIKeyIBTRHLNDPMKNFK-UHFFFAOYSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1232838) is 2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)[nH]n12.
What is the InChIKey of 2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IBTRHLNDPMKNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c19-14-8-6-13(7-9-14)16-10-17-20-15(11-18(23)22(17)21-16)12-4-2-1-3-5-12/h1-11,21H.
What are the key properties of 2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 305.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1232838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).