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

C20H20F2N4 — CID 2812412

IUPAC1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H20F2N4/c21-17-3-1-15(2-4-17)20-16(13-23-24-20)14-25-9-11-26(12-10-25)19-7-5-18(22)6-8-19/h1-8,13H,9-12,14H2,(H,23,24)
InChIKeyDIRHJRWJLBCERZ-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.68
Rot. Bonds4

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

1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 2812412) has the molecular formula C20H20F2N4 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID2812412
Molecular FormulaC20H20F2N4
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H20F2N4/c21-17-3-1-15(2-4-17)20-16(13-23-24-20)14-25-9-11-26(12-10-25)19-7-5-18(22)6-8-19/h1-8,13H,9-12,14H2,(H,23,24)
InChIKeyDIRHJRWJLBCERZ-UHFFFAOYSA-N
XLogP3.68
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 2812412) is 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is Fc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is DIRHJRWJLBCERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4/c21-17-3-1-15(2-4-17)20-16(13-23-24-20)14-25-9-11-26(12-10-25)19-7-5-18(22)6-8-19/h1-8,13H,9-12,14H2,(H,23,24).
What are the key properties of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 354.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 2812412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).