[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

C16H24N4O4S — CID 134086106

IUPAC[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C1CC(C(=O)N2CCN(S(C)(=O)=O)CC2)NN1
InChIInChI=1S/C16H24N4O4S/c1-24-15-6-4-3-5-12(15)13-11-14(18-17-13)16(21)19-7-9-20(10-8-19)25(2,22)23/h3-6,13-14,17-18H,7-11H2,1-2H3
InChIKeyYLJZBXSHCMESRO-UHFFFAOYSA-N
MW368.46 g/mol
LogP-0.29
Rot. Bonds4

About [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 134086106) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID134086106
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C1CC(C(=O)N2CCN(S(C)(=O)=O)CC2)NN1
InChIInChI=1S/C16H24N4O4S/c1-24-15-6-4-3-5-12(15)13-11-14(18-17-13)16(21)19-7-9-20(10-8-19)25(2,22)23/h3-6,13-14,17-18H,7-11H2,1-2H3
InChIKeyYLJZBXSHCMESRO-UHFFFAOYSA-N
XLogP-0.29
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-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

[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 75283611
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75283620
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 75261959
(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone
CID 133108594
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
CID 75283616
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
CID 133108597
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75283629
[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
CID 74623681
[5-(2-chlorophenyl)pyrazolidin-3-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 74623758
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
(2-amino-6-methoxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 81395584
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 134086106) is [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is COc1ccccc1C1CC(C(=O)N2CCN(S(C)(=O)=O)CC2)NN1.
What is the InChIKey of [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is YLJZBXSHCMESRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-24-15-6-4-3-5-12(15)13-11-14(18-17-13)16(21)19-7-9-20(10-8-19)25(2,22)23/h3-6,13-14,17-18H,7-11H2,1-2H3.
What are the key properties of [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 368.46 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 134086106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).