2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid

C19H24F4N4O3 — CID 154886299

IUPAC2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESCN1CCN(Cc2cnn(-c3ccccc3F)c2)CC1CCO.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23FN4O.C2HF3O2/c1-20-7-8-21(13-15(20)6-9-23)11-14-10-19-22(12-14)17-5-3-2-4-16(17)18;3-2(4,5)1(6)7/h2-5,10,12,15,23H,6-9,11,13H2,1H3;(H,6,7)
InChIKeyQGLSPJSFISHVBH-UHFFFAOYSA-N
MW432.42 g/mol
LogP2.14
Rot. Bonds5

About 2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid

2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid (PubChem CID 154886299) has the molecular formula C19H24F4N4O3 and a molecular weight of 432.42 g/mol. Its IUPAC name is 2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid
PubChem CID154886299
Molecular FormulaC19H24F4N4O3
Molecular Weight432.42 g/mol
Exact Mass432.18
IUPAC Name2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESCN1CCN(Cc2cnn(-c3ccccc3F)c2)CC1CCO.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23FN4O.C2HF3O2/c1-20-7-8-21(13-15(20)6-9-23)11-14-10-19-22(12-14)17-5-3-2-4-16(17)18;3-2(4,5)1(6)7/h2-5,10,12,15,23H,6-9,11,13H2,1H3;(H,6,7)
InChIKeyQGLSPJSFISHVBH-UHFFFAOYSA-N
XLogP2.14
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid (CID 154886299) is 2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid is CN1CCN(Cc2cnn(-c3ccccc3F)c2)CC1CCO.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is QGLSPJSFISHVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O.C2HF3O2/c1-20-7-8-21(13-15(20)6-9-23)11-14-10-19-22(12-14)17-5-3-2-4-16(17)18;3-2(4,5)1(6)7/h2-5,10,12,15,23H,6-9,11,13H2,1H3;(H,6,7).
What are the key properties of 2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid?
2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 432.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).