1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine

C17H24N4O3S — CID 113077495

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine
SMILESCCOc1ccc(N2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1
InChIInChI=1S/C17H24N4O3S/c1-4-24-16-7-5-15(6-8-16)20-9-11-21(12-10-20)25(22,23)17-13(2)18-19-14(17)3/h5-8H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyZUDXYLPDKIHHFS-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.94
Rot. Bonds5

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine (PubChem CID 113077495) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine
PubChem CID113077495
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine
SMILESCCOc1ccc(N2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1
InChIInChI=1S/C17H24N4O3S/c1-4-24-16-7-5-15(6-8-16)20-9-11-21(12-10-20)25(22,23)17-13(2)18-19-14(17)3/h5-8H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyZUDXYLPDKIHHFS-UHFFFAOYSA-N
XLogP1.94
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077498
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335366
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(4-ethoxyphenyl)piperazine
CID 3667713
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide
CID 167248237
1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113079952
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
CID 46976898
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]acetonitrile
CID 28705369
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepane
CID 16768219

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine (CID 113077495) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine is CCOc1ccc(N2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine?
The InChIKey is ZUDXYLPDKIHHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-24-16-7-5-15(6-8-16)20-9-11-21(12-10-20)25(22,23)17-13(2)18-19-14(17)3/h5-8H,4,9-12H2,1-3H3,(H,18,19).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine has a molecular weight of 364.47 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine is sourced from PubChem (CID 113077495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).