1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

C17H22N4O2S — CID 71783849

IUPAC1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H22N4O2S/c22-24(23,16-7-17-5-2-1-3-6-17)21-14-11-19(12-15-21)10-13-20-9-4-8-18-20/h1-9,16H,10-15H2/b16-7+
InChIKeyPTSPANYDVSDUDZ-FRKPEAEDSA-N
MW346.46 g/mol
LogP1.50
Rot. Bonds6

About 1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 71783849) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
PubChem CID71783849
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H22N4O2S/c22-24(23,16-7-17-5-2-1-3-6-17)21-14-11-19(12-15-21)10-13-20-9-4-8-18-20/h1-9,16H,10-15H2/b16-7+
InChIKeyPTSPANYDVSDUDZ-FRKPEAEDSA-N
XLogP1.50
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (CID 71783849) is 1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is O=S(=O)(/C=C/c1ccccc1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is PTSPANYDVSDUDZ-FRKPEAEDSA-N. The full InChI is InChI=1S/C17H22N4O2S/c22-24(23,16-7-17-5-2-1-3-6-17)21-14-11-19(12-15-21)10-13-20-9-4-8-18-20/h1-9,16H,10-15H2/b16-7+.
What are the key properties of 1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 346.46 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 71783849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).