[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone

C19H28FN3O3S — CID 133108632

IUPAC[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C19H28FN3O3S/c1-13(2)12-27(25,26)16-7-9-23(10-8-16)19(24)18-11-17(21-22-18)14-3-5-15(20)6-4-14/h3-6,13,16-18,21-22H,7-12H2,1-2H3
InChIKeyKTWNTHSDZDIHOJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP1.80
Rot. Bonds5

About [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone

[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone (PubChem CID 133108632) has the molecular formula C19H28FN3O3S and a molecular weight of 397.52 g/mol. Its IUPAC name is [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
PubChem CID133108632
Molecular FormulaC19H28FN3O3S
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C19H28FN3O3S/c1-13(2)12-27(25,26)16-7-9-23(10-8-16)19(24)18-11-17(21-22-18)14-3-5-15(20)6-4-14/h3-6,13,16-18,21-22H,7-12H2,1-2H3
InChIKeyKTWNTHSDZDIHOJ-UHFFFAOYSA-N
XLogP1.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone 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

(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341
[4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590069
2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 75270626
(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589973
(2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 52989207
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 134067512
[5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 134079807
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide
CID 74601974
3-methyl-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]but-2-en-1-one
CID 90590226
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 74629892

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone (CID 133108632) is [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone is CC(C)CS(=O)(=O)C1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1.
What is the InChIKey of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The InChIKey is KTWNTHSDZDIHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O3S/c1-13(2)12-27(25,26)16-7-9-23(10-8-16)19(24)18-11-17(21-22-18)14-3-5-15(20)6-4-14/h3-6,13,16-18,21-22H,7-12H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone has a molecular weight of 397.52 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 133108632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).