1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine

C21H22F2N4O2S — CID 53075855

IUPAC1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22F2N4O2S/c1-15-21(16(2)27(24-15)20-9-5-18(23)6-10-20)30(28,29)26-13-11-25(12-14-26)19-7-3-17(22)4-8-19/h3-10H,11-14H2,1-2H3
InChIKeyVMHPTXUWDCWZPR-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine

1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine (PubChem CID 53075855) has the molecular formula C21H22F2N4O2S and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
PubChem CID53075855
Molecular FormulaC21H22F2N4O2S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22F2N4O2S/c1-15-21(16(2)27(24-15)20-9-5-18(23)6-10-20)30(28,29)26-13-11-25(12-14-26)19-7-3-17(22)4-8-19/h3-10H,11-14H2,1-2H3
InChIKeyVMHPTXUWDCWZPR-UHFFFAOYSA-N
XLogP3.28
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine (CID 53075855) is 1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine is Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine?
The InChIKey is VMHPTXUWDCWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2S/c1-15-21(16(2)27(24-15)20-9-5-18(23)6-10-20)30(28,29)26-13-11-25(12-14-26)19-7-3-17(22)4-8-19/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine?
1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine has a molecular weight of 432.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine is sourced from PubChem (CID 53075855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).