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

C19H14FN3O3S — CID 171140610

IUPAC3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCS(=O)(=O)c1ccc(-c2cc(=O)n3[nH]cc(-c4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H14FN3O3S/c1-27(25,26)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
InChIKeyKVQTYKSBBYWLPQ-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.90
Rot. Bonds3

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

3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 171140610) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID171140610
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCS(=O)(=O)c1ccc(-c2cc(=O)n3[nH]cc(-c4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H14FN3O3S/c1-27(25,26)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
InChIKeyKVQTYKSBBYWLPQ-UHFFFAOYSA-N
XLogP2.90
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-(4-methylsulfonylphenyl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307025
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
3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10620815
3-(4-fluorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16488179
7-Hydroxy-5-trifluoromethyl-3-(4-phenylthiophenyl)pyrazolo[1,5-a]pyrimidine
CID 19934617
6-fluoro-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 19934626
3-(4-phenylsulfanylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 19934682
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24952413
5-[(2,3-difluorophenyl)sulfanylmethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24952414
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24952759
3-benzyl-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24952763

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 171140610) is 3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CS(=O)(=O)c1ccc(-c2cc(=O)n3[nH]cc(-c4ccc(F)cc4)c3n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KVQTYKSBBYWLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c1-27(25,26)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-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 383.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 171140610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).