[5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

C17H26N4O4S — CID 134079807

IUPAC[5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)C2CC(c3ccc(O)cc3)NN2)CC1
InChIInChI=1S/C17H26N4O4S/c1-26(24,25)11-10-20-6-8-21(9-7-20)17(23)16-12-15(18-19-16)13-2-4-14(22)5-3-13/h2-5,15-16,18-19,22H,6-12H2,1H3
InChIKeyCAKHDGXYORFYAO-UHFFFAOYSA-N
MW382.49 g/mol
LogP-0.51
Rot. Bonds5

About [5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

[5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (PubChem CID 134079807) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is [5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
PubChem CID134079807
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name[5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)C2CC(c3ccc(O)cc3)NN2)CC1
InChIInChI=1S/C17H26N4O4S/c1-26(24,25)11-10-20-6-8-21(9-7-20)17(23)16-12-15(18-19-16)13-2-4-14(22)5-3-13/h2-5,15-16,18-19,22H,6-12H2,1H3
InChIKeyCAKHDGXYORFYAO-UHFFFAOYSA-N
XLogP-0.51
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-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

1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110281141
4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 74629892
[5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone
CID 73221285
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid
CID 134080636
[5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 134064271
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 133108632
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341
[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 52987319
5-(4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolidine-3-carboxamide
CID 134080957
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434

Frequently Asked Questions

What is the IUPAC name of [5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (CID 134079807) is [5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is CS(=O)(=O)CCN1CCN(C(=O)C2CC(c3ccc(O)cc3)NN2)CC1.
What is the InChIKey of [5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The InChIKey is CAKHDGXYORFYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-26(24,25)11-10-20-6-8-21(9-7-20)17(23)16-12-15(18-19-16)13-2-4-14(22)5-3-13/h2-5,15-16,18-19,22H,6-12H2,1H3.
What are the key properties of [5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
[5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 134079807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).