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

C20H19ClF2N4 — CID 24865743

IUPAC1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C20H19ClF2N4/c21-16-3-6-19(18(23)11-16)27-9-7-26(8-10-27)13-15-12-24-25-20(15)14-1-4-17(22)5-2-14/h1-6,11-12H,7-10,13H2,(H,24,25)
InChIKeyYIPXGHIYDKRHHX-UHFFFAOYSA-N
MW388.85 g/mol
LogP4.33
Rot. Bonds4

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

1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 24865743) has the molecular formula C20H19ClF2N4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID24865743
Molecular FormulaC20H19ClF2N4
Molecular Weight388.85 g/mol
Exact Mass388.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C20H19ClF2N4/c21-16-3-6-19(18(23)11-16)27-9-7-26(8-10-27)13-15-12-24-25-20(15)14-1-4-17(22)5-2-14/h1-6,11-12H,7-10,13H2,(H,24,25)
InChIKeyYIPXGHIYDKRHHX-UHFFFAOYSA-N
XLogP4.33
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 24865743) is 1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is Fc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cc3F)CC2)cc1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is YIPXGHIYDKRHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N4/c21-16-3-6-19(18(23)11-16)27-9-7-26(8-10-27)13-15-12-24-25-20(15)14-1-4-17(22)5-2-14/h1-6,11-12H,7-10,13H2,(H,24,25).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 388.85 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 24865743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).