1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine

C17H25N3O — CID 74236751

IUPAC1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCc1ccc(C(C)CCN2CCC(c3ccn[nH]3)CC2)o1
InChIInChI=1S/C17H25N3O/c1-13(17-4-3-14(2)21-17)6-10-20-11-7-15(8-12-20)16-5-9-18-19-16/h3-5,9,13,15H,6-8,10-12H2,1-2H3,(H,18,19)
InChIKeyLWNFWXMYJVFGOQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.68
Rot. Bonds5

About 1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine

1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine (PubChem CID 74236751) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine
PubChem CID74236751
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCc1ccc(C(C)CCN2CCC(c3ccn[nH]3)CC2)o1
InChIInChI=1S/C17H25N3O/c1-13(17-4-3-14(2)21-17)6-10-20-11-7-15(8-12-20)16-5-9-18-19-16/h3-5,9,13,15H,6-8,10-12H2,1-2H3,(H,18,19)
InChIKeyLWNFWXMYJVFGOQ-UHFFFAOYSA-N
XLogP3.68
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine (CID 74236751) is 1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine is Cc1ccc(C(C)CCN2CCC(c3ccn[nH]3)CC2)o1.
What is the InChIKey of 1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine?
The InChIKey is LWNFWXMYJVFGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(17-4-3-14(2)21-17)6-10-20-11-7-15(8-12-20)16-5-9-18-19-16/h3-5,9,13,15H,6-8,10-12H2,1-2H3,(H,18,19).
What are the key properties of 1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine?
1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine has a molecular weight of 287.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 74236751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).