5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one

C20H22FN3O3S — CID 134339098

IUPAC5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(S(=O)(=O)C(C)C)cc3F)cn2)ccc1=O
InChIInChI=1S/C20H22FN3O3S/c1-4-9-23-13-16(5-8-20(23)25)24-12-15(11-22-24)18-7-6-17(10-19(18)21)28(26,27)14(2)3/h5-8,10-14H,4,9H2,1-3H3
InChIKeyLURHPQSFCPUBMY-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.43
Rot. Bonds6

About 5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one

5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 134339098) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID134339098
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC Name5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(S(=O)(=O)C(C)C)cc3F)cn2)ccc1=O
InChIInChI=1S/C20H22FN3O3S/c1-4-9-23-13-16(5-8-20(23)25)24-12-15(11-22-24)18-7-6-17(10-19(18)21)28(26,27)14(2)3/h5-8,10-14H,4,9H2,1-3H3
InChIKeyLURHPQSFCPUBMY-UHFFFAOYSA-N
XLogP3.43
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one (CID 134339098) is 5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3ccc(S(=O)(=O)C(C)C)cc3F)cn2)ccc1=O.
What is the InChIKey of 5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is LURHPQSFCPUBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c1-4-9-23-13-16(5-8-20(23)25)24-12-15(11-22-24)18-7-6-17(10-19(18)21)28(26,27)14(2)3/h5-8,10-14H,4,9H2,1-3H3.
What are the key properties of 5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 403.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 134339098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).