3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one

C16H18FN3O4S — CID 155957761

IUPAC3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FN3O4S/c1-19-14(10-15(21)18-19)16(22)20-8-6-13(7-9-20)25(23,24)12-4-2-11(17)3-5-12/h2-5,10,13H,6-9H2,1H3,(H,18,21)
InChIKeyRFKFNPYHHGYGTA-UHFFFAOYSA-N
MW367.40 g/mol
LogP0.93
Rot. Bonds3

About 3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one

3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one (PubChem CID 155957761) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one
PubChem CID155957761
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Name3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FN3O4S/c1-19-14(10-15(21)18-19)16(22)20-8-6-13(7-9-20)25(23,24)12-4-2-11(17)3-5-12/h2-5,10,13H,6-9H2,1H3,(H,18,21)
InChIKeyRFKFNPYHHGYGTA-UHFFFAOYSA-N
XLogP0.93
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-[2-(4-fluorophenyl)sulfonylacetyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216042
5-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one
CID 155985481
5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one
CID 155985482
5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one
CID 155987121
3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
CID 9077674
2-[3-(Benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide
CID 95916335

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one?
The IUPAC name of 3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one (CID 155957761) is 3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one is Cn1[nH]c(=O)cc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one?
The InChIKey is RFKFNPYHHGYGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-19-14(10-15(21)18-19)16(22)20-8-6-13(7-9-20)25(23,24)12-4-2-11(17)3-5-12/h2-5,10,13H,6-9H2,1H3,(H,18,21).
What are the key properties of 3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one?
3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one has a molecular weight of 367.40 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 155957761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).