1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine

C22H25FN4 — CID 57332488

IUPAC1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine
SMILESCC(C)c1cc(N2CCN(c3ccccc3)CC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C22H25FN4/c1-17(2)21-16-22(27(24-21)20-10-6-7-18(23)15-20)26-13-11-25(12-14-26)19-8-4-3-5-9-19/h3-10,15-17H,11-14H2,1-2H3
InChIKeyWIMHGTSOVGATGL-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.46
Rot. Bonds4

About 1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine

1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine (PubChem CID 57332488) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine
PubChem CID57332488
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine
SMILESCC(C)c1cc(N2CCN(c3ccccc3)CC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C22H25FN4/c1-17(2)21-16-22(27(24-21)20-10-6-7-18(23)15-20)26-13-11-25(12-14-26)19-8-4-3-5-9-19/h3-10,15-17H,11-14H2,1-2H3
InChIKeyWIMHGTSOVGATGL-UHFFFAOYSA-N
XLogP4.46
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine?
The IUPAC name of 1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine (CID 57332488) is 1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine is CC(C)c1cc(N2CCN(c3ccccc3)CC2)n(-c2cccc(F)c2)n1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine?
The InChIKey is WIMHGTSOVGATGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-17(2)21-16-22(27(24-21)20-10-6-7-18(23)15-20)26-13-11-25(12-14-26)19-8-4-3-5-9-19/h3-10,15-17H,11-14H2,1-2H3.
What are the key properties of 1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine?
1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine has a molecular weight of 364.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]-4-phenylpiperazine is sourced from PubChem (CID 57332488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).