N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C18H27N5O2S — CID 8823118

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN1CCN(c2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc2)CC1
InChIInChI=1S/C18H27N5O2S/c1-5-22-10-12-23(13-11-22)17-8-6-16(7-9-17)20-26(24,25)18-14(2)19-21(4)15(18)3/h6-9,20H,5,10-13H2,1-4H3
InChIKeyMLJQXLSOYOKWID-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.98
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 8823118) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID8823118
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN1CCN(c2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc2)CC1
InChIInChI=1S/C18H27N5O2S/c1-5-22-10-12-23(13-11-22)17-8-6-16(7-9-17)20-26(24,25)18-14(2)19-21(4)15(18)3/h6-9,20H,5,10-13H2,1-4H3
InChIKeyMLJQXLSOYOKWID-UHFFFAOYSA-N
XLogP1.98
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-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

N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112981649
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19683754
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
1,3,5-trimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 8823656
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22202693
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 8823118) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is CCN1CCN(c2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is MLJQXLSOYOKWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-5-22-10-12-23(13-11-22)17-8-6-16(7-9-17)20-26(24,25)18-14(2)19-21(4)15(18)3/h6-9,20H,5,10-13H2,1-4H3.
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 377.51 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 8823118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).