1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine

C9H16N4O2S — CID 47267368

IUPAC1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESCCN1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C9H16N4O2S/c1-2-12-3-5-13(6-4-12)16(14,15)9-7-10-11-8-9/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyHQAJBKZZJABBID-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.26
Rot. Bonds3

About 1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine

1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine (PubChem CID 47267368) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
PubChem CID47267368
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESCCN1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C9H16N4O2S/c1-2-12-3-5-13(6-4-12)16(14,15)9-7-10-11-8-9/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyHQAJBKZZJABBID-UHFFFAOYSA-N
XLogP-0.26
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The IUPAC name of 1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine (CID 47267368) is 1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The canonical SMILES for 1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine is CCN1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of 1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The InChIKey is HQAJBKZZJABBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-2-12-3-5-13(6-4-12)16(14,15)9-7-10-11-8-9/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine has a molecular weight of 244.32 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine is sourced from PubChem (CID 47267368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).