1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine

C10H18N4O2S — CID 17024732

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCNCC2)c(C)n1
InChIInChI=1S/C10H18N4O2S/c1-3-13-8-10(9(2)12-13)17(15,16)14-6-4-11-5-7-14/h8,11H,3-7H2,1-2H3
InChIKeyQJNUTCRQMWQIBV-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.19
Rot. Bonds3

About 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine

1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 17024732) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID17024732
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCNCC2)c(C)n1
InChIInChI=1S/C10H18N4O2S/c1-3-13-8-10(9(2)12-13)17(15,16)14-6-4-11-5-7-14/h8,11H,3-7H2,1-2H3
InChIKeyQJNUTCRQMWQIBV-UHFFFAOYSA-N
XLogP-0.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine (CID 17024732) is 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine is CCn1cc(S(=O)(=O)N2CCNCC2)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is QJNUTCRQMWQIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-13-8-10(9(2)12-13)17(15,16)14-6-4-11-5-7-14/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 258.35 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 17024732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).