1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine

C24H24FN3O — CID 70713033

IUPAC1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine
SMILESFC1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1
InChIInChI=1S/C24H24FN3O/c25-21-10-12-27(13-11-21)16-20-17-28(15-18-6-2-1-3-7-18)26-24(20)23-14-19-8-4-5-9-22(19)29-23/h1-9,14,17,21H,10-13,15-16H2
InChIKeyXMBPOKYOGNTIOB-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.28
Rot. Bonds5

About 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine

1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine (PubChem CID 70713033) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine
PubChem CID70713033
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine
SMILESFC1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1
InChIInChI=1S/C24H24FN3O/c25-21-10-12-27(13-11-21)16-20-17-28(15-18-6-2-1-3-7-18)26-24(20)23-14-19-8-4-5-9-22(19)29-23/h1-9,14,17,21H,10-13,15-16H2
InChIKeyXMBPOKYOGNTIOB-UHFFFAOYSA-N
XLogP5.28
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine?
The IUPAC name of 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine (CID 70713033) is 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine.
What is the SMILES notation for 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine?
The canonical SMILES for 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine is FC1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine?
The InChIKey is XMBPOKYOGNTIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c25-21-10-12-27(13-11-21)16-20-17-28(15-18-6-2-1-3-7-18)26-24(20)23-14-19-8-4-5-9-22(19)29-23/h1-9,14,17,21H,10-13,15-16H2.
What are the key properties of 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine?
1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine has a molecular weight of 389.47 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-fluoropiperidine is sourced from PubChem (CID 70713033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).