1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine

C20H21FN4 — CID 46228534

IUPAC1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine
SMILESFc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C20H21FN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
InChIKeyUIZVCAZCAWZKHU-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.33
Rot. Bonds4

About 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine

1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine (PubChem CID 46228534) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine
PubChem CID46228534
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine
SMILESFc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C20H21FN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
InChIKeyUIZVCAZCAWZKHU-UHFFFAOYSA-N
XLogP3.33
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
1-Phenylpyrazole
CID 70769
Sant-1
CID 6878030
1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 10403608
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 41532205
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-phenylpiperazine
CID 11624518
1-Benzyl-4-(5-phenyl-pyrazol-1-yl)-piperidine
CID 21219154
5-(4-Fluorophenyl)-1-phenyl-1H-pyrazole
CID 2768365

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine (CID 46228534) is 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine is Fc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine?
The InChIKey is UIZVCAZCAWZKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2.
What are the key properties of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine?
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine has a molecular weight of 336.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 46228534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).