3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide

C16H22N6O3S — CID 112994673

IUPAC3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H22N6O3S/c1-12-16(13(2)20-19-12)26(24,25)18-11-15(23)22-9-7-21(8-10-22)14-5-3-4-6-17-14/h3-6,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyVENJXFRUFBWGHO-UHFFFAOYSA-N
MW378.46 g/mol
LogP0.05
Rot. Bonds5

About 3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 112994673) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID112994673
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H22N6O3S/c1-12-16(13(2)20-19-12)26(24,25)18-11-15(23)22-9-7-21(8-10-22)14-5-3-4-6-17-14/h3-6,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyVENJXFRUFBWGHO-UHFFFAOYSA-N
XLogP0.05
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide 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-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994676
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 121497433
2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108995090
ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
CID 112994654
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994726
2-[(4-methylphenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108997062
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 43065293

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 112994673) is 3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VENJXFRUFBWGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c1-12-16(13(2)20-19-12)26(24,25)18-11-15(23)22-9-7-21(8-10-22)14-5-3-4-6-17-14/h3-6,18H,7-11H2,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 378.46 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112994673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).