1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine

C17H24N4O3S — CID 6466729

IUPAC1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine
SMILESCCn1ncc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)c1C
InChIInChI=1S/C17H24N4O3S/c1-4-21-14(2)17(13-18-21)25(22,23)20-10-8-19(9-11-20)15-6-5-7-16(12-15)24-3/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyJQYBAXWELMBUQF-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.73
Rot. Bonds5

About 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine

1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine (PubChem CID 6466729) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine
PubChem CID6466729
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine
SMILESCCn1ncc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)c1C
InChIInChI=1S/C17H24N4O3S/c1-4-21-14(2)17(13-18-21)25(22,23)20-10-8-19(9-11-20)15-6-5-7-16(12-15)24-3/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyJQYBAXWELMBUQF-UHFFFAOYSA-N
XLogP1.73
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Phenoxy-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72549319
N~1~-(3-methoxyphenyl)-N~2~-(4-methoxyphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3241905
3-[3,5-Dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-YL]-1-[4-(3-methoxyphenyl)piperazin-1-YL]propan-1-one
CID 16028049
N-(3-methoxyphenyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914763
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 1511735
[(1,3-Dimethylpyrazol-4-yl)sulfonyl](4-methoxyphenyl)amine
CID 6464754
N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide
CID 5308486
4-{[4-(2-Methoxyphenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6466269
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 24791849
1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-((5-fluoro-2-methoxyphenyl)sulfonyl)piperazine
CID 71783870
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 71916836
4-Fluoro-3-methoxy-N-[(2-methylpyrazol-3-YL)methyl]benzenesulfonamide
CID 86818505

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine (CID 6466729) is 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine is CCn1ncc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)c1C.
What is the InChIKey of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The InChIKey is JQYBAXWELMBUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-21-14(2)17(13-18-21)25(22,23)20-10-8-19(9-11-20)15-6-5-7-16(12-15)24-3/h5-7,12-13H,4,8-11H2,1-3H3.
What are the key properties of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine?
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine has a molecular weight of 364.47 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 6466729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).