3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride

C11H21ClN4O2S — CID 154910990

IUPAC3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride
SMILESCCCn1nccc1S(=O)(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-3-7-15-11(4-5-13-15)18(16,17)14-8-6-12-10(2)9-14;/h4-5,10,12H,3,6-9H2,1-2H3;1H
InChIKeyYXKWKKQQFIRTEP-UHFFFAOYSA-N
MW308.84 g/mol
LogP0.70
Rot. Bonds4

About 3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride

3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride (PubChem CID 154910990) has the molecular formula C11H21ClN4O2S and a molecular weight of 308.84 g/mol. Its IUPAC name is 3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride
PubChem CID154910990
Molecular FormulaC11H21ClN4O2S
Molecular Weight308.84 g/mol
Exact Mass308.11
IUPAC Name3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride
SMILESCCCn1nccc1S(=O)(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-3-7-15-11(4-5-13-15)18(16,17)14-8-6-12-10(2)9-14;/h4-5,10,12H,3,6-9H2,1-2H3;1H
InChIKeyYXKWKKQQFIRTEP-UHFFFAOYSA-N
XLogP0.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride (CID 154910990) is 3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride is CCCn1nccc1S(=O)(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of 3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is YXKWKKQQFIRTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S.ClH/c1-3-7-15-11(4-5-13-15)18(16,17)14-8-6-12-10(2)9-14;/h4-5,10,12H,3,6-9H2,1-2H3;1H.
What are the key properties of 3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride?
3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 308.84 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propylpyrazol-3-yl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 154910990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).