1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine

C26H27FN4S — CID 25064850

IUPAC1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine
SMILESFc1ccccc1N1CCN(CCCc2cc(-c3cccs3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H27FN4S/c27-23-11-4-5-12-24(23)30-17-15-29(16-18-30)14-6-8-21-20-25(26-13-7-19-32-26)31(28-21)22-9-2-1-3-10-22/h1-5,7,9-13,19-20H,6,8,14-18H2
InChIKeyKWEAUAXNLAWLIT-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.49
Rot. Bonds7

About 1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine

1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine (PubChem CID 25064850) has the molecular formula C26H27FN4S and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine
PubChem CID25064850
Molecular FormulaC26H27FN4S
Molecular Weight446.60 g/mol
Exact Mass446.19
IUPAC Name1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine
SMILESFc1ccccc1N1CCN(CCCc2cc(-c3cccs3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H27FN4S/c27-23-11-4-5-12-24(23)30-17-15-29(16-18-30)14-6-8-21-20-25(26-13-7-19-32-26)31(28-21)22-9-2-1-3-10-22/h1-5,7,9-13,19-20H,6,8,14-18H2
InChIKeyKWEAUAXNLAWLIT-UHFFFAOYSA-N
XLogP5.49
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-ethylpiperazine
CID 70731622
1-[(2-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177650909
1-[(3-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177651141
1-Phenyl-3-(trifluoromethyl)-5-(2-thienyl)-1H-pyrazole
CID 2804164
1-(4-Fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812747
[5-(4-Fluorophenyl)-1-phenylpyrazol-3-yl]-thiomorpholin-4-ylmethanethione
CID 177698812
1-Benzyl-5-phenyl-3-thiophen-2-ylpyrazole
CID 177651182
1-Phenyl-3,5-dithiophen-2-ylpyrazole
CID 53765084
4-Fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole
CID 53493812
1-[[5-(2-Fluorophenyl)-1-(4-thiophen-3-ylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 11441855
1-(3-(1-tert-butyl-5-(thiophene-2-yl)-1H-pyrazol-3-yl)propyl)-4-(2-fluorophenyl)piperazine
CID 25064648
1-[[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine
CID 49834437

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine (CID 25064850) is 1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine is Fc1ccccc1N1CCN(CCCc2cc(-c3cccs3)n(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine?
The InChIKey is KWEAUAXNLAWLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4S/c27-23-11-4-5-12-24(23)30-17-15-29(16-18-30)14-6-8-21-20-25(26-13-7-19-32-26)31(28-21)22-9-2-1-3-10-22/h1-5,7,9-13,19-20H,6,8,14-18H2.
What are the key properties of 1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine?
1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine has a molecular weight of 446.60 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)propyl]piperazine is sourced from PubChem (CID 25064850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).