3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H14FN3OS — CID 171140456

IUPAC3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1ccc(-c2cc(=O)n3[nH]cc(-c4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H14FN3OS/c1-25-15-8-4-13(5-9-15)17-10-18(24)23-19(22-17)16(11-21-23)12-2-6-14(20)7-3-12/h2-11,21H,1H3
InChIKeyOVLCXLFINCMEJT-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.22
Rot. Bonds3

About 3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 171140456) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID171140456
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1ccc(-c2cc(=O)n3[nH]cc(-c4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H14FN3OS/c1-25-15-8-4-13(5-9-15)17-10-18(24)23-19(22-17)16(11-21-23)12-2-6-14(20)7-3-12/h2-11,21H,1H3
InChIKeyOVLCXLFINCMEJT-UHFFFAOYSA-N
XLogP4.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 7339688
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 24958935
3-(4-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 6463899
2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 7339995
2-ethyl-3-(4-fluorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16421503
5-(3-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 49830829
3,5-bis(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 49830830
2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164611815
3,5-Diphenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 4900075
3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10620815
3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 12726118
5-[(2,3-difluorophenyl)sulfanylmethyl]-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 72948071

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 171140456) is 3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CSc1ccc(-c2cc(=O)n3[nH]cc(-c4ccc(F)cc4)c3n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OVLCXLFINCMEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c1-25-15-8-4-13(5-9-15)17-10-18(24)23-19(22-17)16(11-21-23)12-2-6-14(20)7-3-12/h2-11,21H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 351.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 171140456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).