1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine

C17H24N4O2S — CID 75431738

IUPAC1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine
SMILESCS(=O)(=O)CCN1CCN(Cc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H24N4O2S/c1-24(22,23)14-13-19-9-11-20(12-10-19)15-16-7-8-21(18-16)17-5-3-2-4-6-17/h2-8H,9-15H2,1H3
InChIKeyOHXABAAOBONOBZ-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.03
Rot. Bonds6

About 1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine

1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine (PubChem CID 75431738) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine
PubChem CID75431738
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine
SMILESCS(=O)(=O)CCN1CCN(Cc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H24N4O2S/c1-24(22,23)14-13-19-9-11-20(12-10-19)15-16-7-8-21(18-16)17-5-3-2-4-6-17/h2-8H,9-15H2,1H3
InChIKeyOHXABAAOBONOBZ-UHFFFAOYSA-N
XLogP1.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine (CID 75431738) is 1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine is CS(=O)(=O)CCN1CCN(Cc2ccn(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine?
The InChIKey is OHXABAAOBONOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-24(22,23)14-13-19-9-11-20(12-10-19)15-16-7-8-21(18-16)17-5-3-2-4-6-17/h2-8H,9-15H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine?
1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine has a molecular weight of 348.47 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 75431738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).