1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine

C23H23F4N3O — CID 155536978

IUPAC1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H23F4N3O/c1-31-21-10-12-29(13-11-21)15-19-14-22(16-2-4-17(5-3-16)23(25,26)27)30(28-19)20-8-6-18(24)7-9-20/h2-9,14,21H,10-13,15H2,1H3
InChIKeyQSFJRGIUYKLJPC-UHFFFAOYSA-N
MW433.45 g/mol
LogP5.31
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine

1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine (PubChem CID 155536978) has the molecular formula C23H23F4N3O and a molecular weight of 433.45 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine
PubChem CID155536978
Molecular FormulaC23H23F4N3O
Molecular Weight433.45 g/mol
Exact Mass433.18
IUPAC Name1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H23F4N3O/c1-31-21-10-12-29(13-11-21)15-19-14-22(16-2-4-17(5-3-16)23(25,26)27)30(28-19)20-8-6-18(24)7-9-20/h2-9,14,21H,10-13,15H2,1H3
InChIKeyQSFJRGIUYKLJPC-UHFFFAOYSA-N
XLogP5.31
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.45
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine (CID 155536978) is 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine is COC1CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine?
The InChIKey is QSFJRGIUYKLJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N3O/c1-31-21-10-12-29(13-11-21)15-19-14-22(16-2-4-17(5-3-16)23(25,26)27)30(28-19)20-8-6-18(24)7-9-20/h2-9,14,21H,10-13,15H2,1H3.
What are the key properties of 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine?
1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine has a molecular weight of 433.45 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine is sourced from PubChem (CID 155536978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).