1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine

C15H22N4O3S — CID 17060352

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(Cc3ccc(C)o3)CC2)cn1
InChIInChI=1S/C15H22N4O3S/c1-3-18-12-15(10-16-18)23(20,21)19-8-6-17(7-9-19)11-14-5-4-13(2)22-14/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyQWTKQLSQVGICKN-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.31
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine

1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine (PubChem CID 17060352) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
PubChem CID17060352
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(Cc3ccc(C)o3)CC2)cn1
InChIInChI=1S/C15H22N4O3S/c1-3-18-12-15(10-16-18)23(20,21)19-8-6-17(7-9-19)11-14-5-4-13(2)22-14/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyQWTKQLSQVGICKN-UHFFFAOYSA-N
XLogP1.31
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 17060302
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
CID 22208281
1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 17060359
1-(1-ethylpyrazol-4-yl)sulfonyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperazine
CID 131907176
1-[(5-methylfuran-2-yl)methyl]-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17060392
1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582895
6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 46971295
1-[(5-methylfuran-2-yl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 17060368
1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582032
5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 56706575
4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide
CID 71855169
4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine
CID 98137739

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine (CID 17060352) is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine is CCn1cc(S(=O)(=O)N2CCN(Cc3ccc(C)o3)CC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The InChIKey is QWTKQLSQVGICKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-3-18-12-15(10-16-18)23(20,21)19-8-6-17(7-9-19)11-14-5-4-13(2)22-14/h4-5,10,12H,3,6-9,11H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine has a molecular weight of 338.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 17060352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).