1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine

C25H30FN3O — CID 155542932

IUPAC1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C25H30FN3O/c1-18(2)19-4-6-20(7-5-19)25-16-22(17-28-14-12-24(30-3)13-15-28)27-29(25)23-10-8-21(26)9-11-23/h4-11,16,18,24H,12-15,17H2,1-3H3
InChIKeyGWTVIVJIFGVISN-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.41
Rot. Bonds6

About 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine

1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine (PubChem CID 155542932) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
PubChem CID155542932
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C25H30FN3O/c1-18(2)19-4-6-20(7-5-19)25-16-22(17-28-14-12-24(30-3)13-15-28)27-29(25)23-10-8-21(26)9-11-23/h4-11,16,18,24H,12-15,17H2,1-3H3
InChIKeyGWTVIVJIFGVISN-UHFFFAOYSA-N
XLogP5.41
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.41
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-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine (CID 155542932) is 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine is COC1CCN(Cc2cc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine?
The InChIKey is GWTVIVJIFGVISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-18(2)19-4-6-20(7-5-19)25-16-22(17-28-14-12-24(30-3)13-15-28)27-29(25)23-10-8-21(26)9-11-23/h4-11,16,18,24H,12-15,17H2,1-3H3.
What are the key properties of 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine?
1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine has a molecular weight of 407.53 g/mol, XLogP of 5.41, 6 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-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine is sourced from PubChem (CID 155542932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).