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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Related Compounds

6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
2-(4-Methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
CID 819041
3,5-diphenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 2810970
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
6-Allyl-5-methyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 793400
2-(4-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 804445
2-(4-Bromo-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 1081354
5-Phenyl-2-m-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 2857627
5-ethyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 17584764

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).