1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine

C20H20F2N4 — CID 3526400

IUPAC1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H20F2N4/c21-17-7-5-15(6-8-17)20-16(13-23-24-20)14-25-9-11-26(12-10-25)19-4-2-1-3-18(19)22/h1-8,13H,9-12,14H2,(H,23,24)
InChIKeyZSACTAHVPVCADJ-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.68
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine

1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 3526400) has the molecular formula C20H20F2N4 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID3526400
Molecular FormulaC20H20F2N4
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H20F2N4/c21-17-7-5-15(6-8-17)20-16(13-23-24-20)14-25-9-11-26(12-10-25)19-4-2-1-3-18(19)22/h1-8,13H,9-12,14H2,(H,23,24)
InChIKeyZSACTAHVPVCADJ-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-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 3526400) is 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is Fc1ccc(-c2[nH]ncc2CN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is ZSACTAHVPVCADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4/c21-17-7-5-15(6-8-17)20-16(13-23-24-20)14-25-9-11-26(12-10-25)19-4-2-1-3-18(19)22/h1-8,13H,9-12,14H2,(H,23,24).
What are the key properties of 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(2-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-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 3526400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).