1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine

C20H20F2N4 — CID 46228535

IUPAC1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1
InChIInChI=1S/C20H20F2N4/c21-17-1-5-19(6-2-17)25-11-9-24(10-12-25)14-16-13-23-26(15-16)20-7-3-18(22)4-8-20/h1-8,13,15H,9-12,14H2
InChIKeyPUWHTHUIKFOAEI-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.47
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine

1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine (PubChem CID 46228535) has the molecular formula C20H20F2N4 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine
PubChem CID46228535
Molecular FormulaC20H20F2N4
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1
InChIInChI=1S/C20H20F2N4/c21-17-1-5-19(6-2-17)25-11-9-24(10-12-25)14-16-13-23-26(15-16)20-7-3-18(22)4-8-20/h1-8,13,15H,9-12,14H2
InChIKeyPUWHTHUIKFOAEI-UHFFFAOYSA-N
XLogP3.47
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine (CID 46228535) is 1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine is Fc1ccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine?
The InChIKey is PUWHTHUIKFOAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4/c21-17-1-5-19(6-2-17)25-11-9-24(10-12-25)14-16-13-23-26(15-16)20-7-3-18(22)4-8-20/h1-8,13,15H,9-12,14H2.
What are the key properties of 1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine?
1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine has a molecular weight of 354.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 46228535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).