3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide

C17H24N4O3S — CID 110405040

IUPAC3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H24N4O3S/c1-13-17(14(2)20-19-13)25(22,23)18-8-7-15-3-5-16(6-4-15)21-9-11-24-12-10-21/h3-6,18H,7-12H2,1-2H3,(H,19,20)
InChIKeyZKFLMIHXPAXNEF-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.38
Rot. Bonds6

About 3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110405040) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID110405040
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H24N4O3S/c1-13-17(14(2)20-19-13)25(22,23)18-8-7-15-3-5-16(6-4-15)21-9-11-24-12-10-21/h3-6,18H,7-12H2,1-2H3,(H,19,20)
InChIKeyZKFLMIHXPAXNEF-UHFFFAOYSA-N
XLogP1.38
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)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

3,5-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 110405080
N-[3-(4-methoxyphenyl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110288674
N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110405037
3,4-dimethoxy-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890585
3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110731916
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide
CID 112506527
N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914971
3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110660694

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide (CID 110405040) is 3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is ZKFLMIHXPAXNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-13-17(14(2)20-19-13)25(22,23)18-8-7-15-3-5-16(6-4-15)21-9-11-24-12-10-21/h3-6,18H,7-12H2,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110405040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).