1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine

C17H23FN4O2S — CID 110290667

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4O2S/c1-13-17(14(2)20-19-13)25(23,24)22-11-9-21(10-12-22)8-7-15-3-5-16(18)6-4-15/h3-6H,7-12H2,1-2H3,(H,19,20)
InChIKeyHNGWXAUTVPPGNA-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.71
Rot. Bonds5

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine (PubChem CID 110290667) has the molecular formula C17H23FN4O2S and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine
PubChem CID110290667
Molecular FormulaC17H23FN4O2S
Molecular Weight366.46 g/mol
Exact Mass366.15
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4O2S/c1-13-17(14(2)20-19-13)25(23,24)22-11-9-21(10-12-22)8-7-15-3-5-16(18)6-4-15/h3-6H,7-12H2,1-2H3,(H,19,20)
InChIKeyHNGWXAUTVPPGNA-UHFFFAOYSA-N
XLogP1.71
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine (CID 110290667) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine?
The InChIKey is HNGWXAUTVPPGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2S/c1-13-17(14(2)20-19-13)25(23,24)22-11-9-21(10-12-22)8-7-15-3-5-16(18)6-4-15/h3-6H,7-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine has a molecular weight of 366.46 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 110290667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).