1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine

C21H20F4N4 — CID 24864297

IUPAC1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C21H20F4N4/c22-18-5-1-15(2-6-18)20-16(13-26-27-20)14-28-9-11-29(12-10-28)19-7-3-17(4-8-19)21(23,24)25/h1-8,13H,9-12,14H2,(H,26,27)
InChIKeyJSXBOAKUVCZCHG-UHFFFAOYSA-N
MW404.41 g/mol
LogP4.56
Rot. Bonds4

About 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 24864297) has the molecular formula C21H20F4N4 and a molecular weight of 404.41 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID24864297
Molecular FormulaC21H20F4N4
Molecular Weight404.41 g/mol
Exact Mass404.16
IUPAC Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C21H20F4N4/c22-18-5-1-15(2-6-18)20-16(13-26-27-20)14-28-9-11-29(12-10-28)19-7-3-17(4-8-19)21(23,24)25/h1-8,13H,9-12,14H2,(H,26,27)
InChIKeyJSXBOAKUVCZCHG-UHFFFAOYSA-N
XLogP4.56
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine (CID 24864297) is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine is Fc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is JSXBOAKUVCZCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4/c22-18-5-1-15(2-6-18)20-16(13-26-27-20)14-28-9-11-29(12-10-28)19-7-3-17(4-8-19)21(23,24)25/h1-8,13H,9-12,14H2,(H,26,27).
What are the key properties of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 404.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 24864297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).