1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine

C16H22N4O2S — CID 51099645

IUPAC1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C16H22N4O2S/c1-2-18-8-10-20(11-9-18)23(21,22)16-12-17-19(14-16)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3
InChIKeyNASFWWCCPQHKRT-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.26
Rot. Bonds5

About 1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine

1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine (PubChem CID 51099645) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
PubChem CID51099645
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C16H22N4O2S/c1-2-18-8-10-20(11-9-18)23(21,22)16-12-17-19(14-16)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3
InChIKeyNASFWWCCPQHKRT-UHFFFAOYSA-N
XLogP1.26
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine (CID 51099645) is 1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine?
The InChIKey is NASFWWCCPQHKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-2-18-8-10-20(11-9-18)23(21,22)16-12-17-19(14-16)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3.
What are the key properties of 1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine?
1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine has a molecular weight of 334.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 51099645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).