1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone

C9H15N5O3S — CID 54922751

IUPAC1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C9H15N5O3S/c1-7(15)13-2-4-14(5-3-13)18(16,17)8-6-11-12-9(8)10/h6H,2-5H2,1H3,(H3,10,11,12)
InChIKeyCEPTYFVDYPSERO-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.16
Rot. Bonds2

About 1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone

1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone (PubChem CID 54922751) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
PubChem CID54922751
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C9H15N5O3S/c1-7(15)13-2-4-14(5-3-13)18(16,17)8-6-11-12-9(8)10/h6H,2-5H2,1H3,(H3,10,11,12)
InChIKeyCEPTYFVDYPSERO-UHFFFAOYSA-N
XLogP-1.16
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone (CID 54922751) is 1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of 1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone?
The InChIKey is CEPTYFVDYPSERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-7(15)13-2-4-14(5-3-13)18(16,17)8-6-11-12-9(8)10/h6H,2-5H2,1H3,(H3,10,11,12).
What are the key properties of 1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone?
1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone has a molecular weight of 273.32 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 54922751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).