5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one

C22H26FN3O3S — CID 138748933

IUPAC5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(S(=O)(=O)C(CC)CC)cc3F)cn2)ccc1=O
InChIInChI=1S/C22H26FN3O3S/c1-4-11-25-15-17(7-10-22(25)27)26-14-16(13-24-26)20-9-8-19(12-21(20)23)30(28,29)18(5-2)6-3/h7-10,12-15,18H,4-6,11H2,1-3H3
InChIKeyJRYOQFNCJVRVFA-UHFFFAOYSA-N
MW431.53 g/mol
LogP4.21
Rot. Bonds8

About 5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one

5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 138748933) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is 5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID138748933
Molecular FormulaC22H26FN3O3S
Molecular Weight431.53 g/mol
Exact Mass431.17
IUPAC Name5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(S(=O)(=O)C(CC)CC)cc3F)cn2)ccc1=O
InChIInChI=1S/C22H26FN3O3S/c1-4-11-25-15-17(7-10-22(25)27)26-14-16(13-24-26)20-9-8-19(12-21(20)23)30(28,29)18(5-2)6-3/h7-10,12-15,18H,4-6,11H2,1-3H3
InChIKeyJRYOQFNCJVRVFA-UHFFFAOYSA-N
XLogP4.21
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one (CID 138748933) is 5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3ccc(S(=O)(=O)C(CC)CC)cc3F)cn2)ccc1=O.
What is the InChIKey of 5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is JRYOQFNCJVRVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3S/c1-4-11-25-15-17(7-10-22(25)27)26-14-16(13-24-26)20-9-8-19(12-21(20)23)30(28,29)18(5-2)6-3/h7-10,12-15,18H,4-6,11H2,1-3H3.
What are the key properties of 5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-(2-fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 431.53 g/mol, XLogP of 4.21, 8 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-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 138748933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).