1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine

C20H21FN4 — CID 17475863

IUPAC1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine
SMILESFc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C20H21FN4/c21-18-6-8-19(9-7-18)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2
InChIKeyZQEBKQUIKOLFRO-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine

1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine (PubChem CID 17475863) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine
PubChem CID17475863
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine
SMILESFc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C20H21FN4/c21-18-6-8-19(9-7-18)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2
InChIKeyZQEBKQUIKOLFRO-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine (CID 17475863) is 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine is Fc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
The InChIKey is ZQEBKQUIKOLFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c21-18-6-8-19(9-7-18)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2.
What are the key properties of 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine 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-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 17475863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).