1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride

C11H21ClN4O2S — CID 154908217

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCCn1nc(C)cc1S(=O)(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-4-15-11(7-9(2)13-15)18(16,17)14-6-5-12-10(3)8-14;/h7,10,12H,4-6,8H2,1-3H3;1H
InChIKeyDHELKJYBUUAFAC-UHFFFAOYSA-N
MW308.84 g/mol
LogP0.62
Rot. Bonds3

About 1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride

1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 154908217) has the molecular formula C11H21ClN4O2S and a molecular weight of 308.84 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID154908217
Molecular FormulaC11H21ClN4O2S
Molecular Weight308.84 g/mol
Exact Mass308.11
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCCn1nc(C)cc1S(=O)(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-4-15-11(7-9(2)13-15)18(16,17)14-6-5-12-10(3)8-14;/h7,10,12H,4-6,8H2,1-3H3;1H
InChIKeyDHELKJYBUUAFAC-UHFFFAOYSA-N
XLogP0.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride (CID 154908217) is 1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride is CCn1nc(C)cc1S(=O)(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is DHELKJYBUUAFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S.ClH/c1-4-15-11(7-9(2)13-15)18(16,17)14-6-5-12-10(3)8-14;/h7,10,12H,4-6,8H2,1-3H3;1H.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride?
1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride has a molecular weight of 308.84 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 154908217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).