2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine

C20H20F2N4 — CID 120756617

IUPAC2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
SMILESFc1ccc(-n2ccc(CN3CCNCC3c3cccc(F)c3)n2)cc1
InChIInChI=1S/C20H20F2N4/c21-16-4-6-19(7-5-16)26-10-8-18(24-26)14-25-11-9-23-13-20(25)15-2-1-3-17(22)12-15/h1-8,10,12,20,23H,9,11,13-14H2
InChIKeyLEUHQYMBABNJDV-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.30
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine

2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine (PubChem CID 120756617) has the molecular formula C20H20F2N4 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
PubChem CID120756617
Molecular FormulaC20H20F2N4
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
SMILESFc1ccc(-n2ccc(CN3CCNCC3c3cccc(F)c3)n2)cc1
InChIInChI=1S/C20H20F2N4/c21-16-4-6-19(7-5-16)26-10-8-18(24-26)14-25-11-9-23-13-20(25)15-2-1-3-17(22)12-15/h1-8,10,12,20,23H,9,11,13-14H2
InChIKeyLEUHQYMBABNJDV-UHFFFAOYSA-N
XLogP3.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691
2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine
CID 166361222
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
CID 120846546
(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine
CID 124660620
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 120756729

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine?
The IUPAC name of 2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine (CID 120756617) is 2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine?
The canonical SMILES for 2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine is Fc1ccc(-n2ccc(CN3CCNCC3c3cccc(F)c3)n2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine?
The InChIKey is LEUHQYMBABNJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4/c21-16-4-6-19(7-5-16)26-10-8-18(24-26)14-25-11-9-23-13-20(25)15-2-1-3-17(22)12-15/h1-8,10,12,20,23H,9,11,13-14H2.
What are the key properties of 2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine?
2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine has a molecular weight of 354.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine is sourced from PubChem (CID 120756617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).