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

C12H15N3O — CID 2764503

IUPAC4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
SMILESc1coc(-c2cc(C3CCNCC3)[nH]n2)c1
InChIInChI=1S/C12H15N3O/c1-2-12(16-7-1)11-8-10(14-15-11)9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2,(H,14,15)
InChIKeyQZJXKXUEPLFGHA-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.14
Rot. Bonds2

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

4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine (PubChem CID 2764503) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
PubChem CID2764503
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
SMILESc1coc(-c2cc(C3CCNCC3)[nH]n2)c1
InChIInChI=1S/C12H15N3O/c1-2-12(16-7-1)11-8-10(14-15-11)9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2,(H,14,15)
InChIKeyQZJXKXUEPLFGHA-UHFFFAOYSA-N
XLogP2.14
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine (CID 2764503) is 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine is c1coc(-c2cc(C3CCNCC3)[nH]n2)c1.
What is the InChIKey of 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is QZJXKXUEPLFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-12(16-7-1)11-8-10(14-15-11)9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2,(H,14,15).
What are the key properties of 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 217.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 2764503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).