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

C22H25FN4 — CID 24865559

IUPAC1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCc1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C22H25FN4/c1-16-3-8-21(17(2)13-16)27-11-9-26(10-12-27)15-19-14-24-25-22(19)18-4-6-20(23)7-5-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25)
InChIKeyZGAHZXAMMKHFKA-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.15
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 24865559) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID24865559
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCc1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C22H25FN4/c1-16-3-8-21(17(2)13-16)27-11-9-26(10-12-27)15-19-14-24-25-22(19)18-4-6-20(23)7-5-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25)
InChIKeyZGAHZXAMMKHFKA-UHFFFAOYSA-N
XLogP4.15
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 24865559) is 1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is Cc1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is ZGAHZXAMMKHFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-16-3-8-21(17(2)13-16)27-11-9-26(10-12-27)15-19-14-24-25-22(19)18-4-6-20(23)7-5-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25).
What are the key properties of 1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 364.47 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 24865559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).