1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine

C17H23FN4O2S — CID 17022816

IUPAC1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
SMILESCCn1ncc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C17H23FN4O2S/c1-3-22-14(2)17(12-19-22)25(23,24)21-10-8-20(9-11-21)13-15-4-6-16(18)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyOEMMCHQXUBLVBI-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.86
Rot. Bonds5

About 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine

1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 17022816) has the molecular formula C17H23FN4O2S and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID17022816
Molecular FormulaC17H23FN4O2S
Molecular Weight366.46 g/mol
Exact Mass366.15
IUPAC Name1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
SMILESCCn1ncc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C17H23FN4O2S/c1-3-22-14(2)17(12-19-22)25(23,24)21-10-8-20(9-11-21)13-15-4-6-16(18)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyOEMMCHQXUBLVBI-UHFFFAOYSA-N
XLogP1.86
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine (CID 17022816) is 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine is CCn1ncc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1C.
What is the InChIKey of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is OEMMCHQXUBLVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2S/c1-3-22-14(2)17(12-19-22)25(23,24)21-10-8-20(9-11-21)13-15-4-6-16(18)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 366.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 17022816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).