1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine

C20H23N3O — CID 74240232

IUPAC1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCc1ccc(-c2ccccc2CN2CCC(c3ccn[nH]3)CC2)o1
InChIInChI=1S/C20H23N3O/c1-15-6-7-20(24-15)18-5-3-2-4-17(18)14-23-12-9-16(10-13-23)19-8-11-21-22-19/h2-8,11,16H,9-10,12-14H2,1H3,(H,21,22)
InChIKeyBQEZXTTUIQCYBY-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.36
Rot. Bonds4

About 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine

1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine (PubChem CID 74240232) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine
PubChem CID74240232
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCc1ccc(-c2ccccc2CN2CCC(c3ccn[nH]3)CC2)o1
InChIInChI=1S/C20H23N3O/c1-15-6-7-20(24-15)18-5-3-2-4-17(18)14-23-12-9-16(10-13-23)19-8-11-21-22-19/h2-8,11,16H,9-10,12-14H2,1H3,(H,21,22)
InChIKeyBQEZXTTUIQCYBY-UHFFFAOYSA-N
XLogP4.36
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine (CID 74240232) is 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine is Cc1ccc(-c2ccccc2CN2CCC(c3ccn[nH]3)CC2)o1.
What is the InChIKey of 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine?
The InChIKey is BQEZXTTUIQCYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-6-7-20(24-15)18-5-3-2-4-17(18)14-23-12-9-16(10-13-23)19-8-11-21-22-19/h2-8,11,16H,9-10,12-14H2,1H3,(H,21,22).
What are the key properties of 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine?
1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine has a molecular weight of 321.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 74240232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).