1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine

C13H18N4O3S — CID 19582895

IUPAC1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCn1cc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cn1
InChIInChI=1S/C13H18N4O3S/c1-15-11-13(9-14-15)21(18,19)17-6-4-16(5-7-17)10-12-3-2-8-20-12/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeyNIXAITLWQDFHRK-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.52
Rot. Bonds4

About 1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine

1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 19582895) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID19582895
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCn1cc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cn1
InChIInChI=1S/C13H18N4O3S/c1-15-11-13(9-14-15)21(18,19)17-6-4-16(5-7-17)10-12-3-2-8-20-12/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeyNIXAITLWQDFHRK-UHFFFAOYSA-N
XLogP0.52
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 6466955
1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 3743915
1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582032
1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 17374335
1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113073924
2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile
CID 63337013
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 17060352
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19515154
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 86873761
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17022440

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine (CID 19582895) is 1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine is Cn1cc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cn1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is NIXAITLWQDFHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-15-11-13(9-14-15)21(18,19)17-6-4-16(5-7-17)10-12-3-2-8-20-12/h2-3,8-9,11H,4-7,10H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 310.38 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 19582895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).