5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one

C21H22FN3O3S — CID 134339102

IUPAC5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(S(=O)(=O)C4CCC4)cc3F)cn2)ccc1=O
InChIInChI=1S/C21H22FN3O3S/c1-2-10-24-14-16(6-9-21(24)26)25-13-15(12-23-25)19-8-7-18(11-20(19)22)29(27,28)17-4-3-5-17/h6-9,11-14,17H,2-5,10H2,1H3
InChIKeyFHUDOLCZNWKLKW-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.58
Rot. Bonds6

About 5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one

5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 134339102) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID134339102
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(S(=O)(=O)C4CCC4)cc3F)cn2)ccc1=O
InChIInChI=1S/C21H22FN3O3S/c1-2-10-24-14-16(6-9-21(24)26)25-13-15(12-23-25)19-8-7-18(11-20(19)22)29(27,28)17-4-3-5-17/h6-9,11-14,17H,2-5,10H2,1H3
InChIKeyFHUDOLCZNWKLKW-UHFFFAOYSA-N
XLogP3.58
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one (CID 134339102) is 5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3ccc(S(=O)(=O)C4CCC4)cc3F)cn2)ccc1=O.
What is the InChIKey of 5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is FHUDOLCZNWKLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-2-10-24-14-16(6-9-21(24)26)25-13-15(12-23-25)19-8-7-18(11-20(19)22)29(27,28)17-4-3-5-17/h6-9,11-14,17H,2-5,10H2,1H3.
What are the key properties of 5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 415.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclobutylsulfonyl-2-fluorophenyl)pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 134339102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).