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

C14H16N4O — CID 2764506

IUPAC2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile
SMILESN#CCN1CCC(c2cc(-c3ccco3)n[nH]2)CC1
InChIInChI=1S/C14H16N4O/c15-5-8-18-6-3-11(4-7-18)12-10-13(17-16-12)14-2-1-9-19-14/h1-2,9-11H,3-4,6-8H2,(H,16,17)
InChIKeyAPEZOYURPVWEKD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.37
Rot. Bonds3

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

2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile (PubChem CID 2764506) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile
PubChem CID2764506
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile
SMILESN#CCN1CCC(c2cc(-c3ccco3)n[nH]2)CC1
InChIInChI=1S/C14H16N4O/c15-5-8-18-6-3-11(4-7-18)12-10-13(17-16-12)14-2-1-9-19-14/h1-2,9-11H,3-4,6-8H2,(H,16,17)
InChIKeyAPEZOYURPVWEKD-UHFFFAOYSA-N
XLogP2.37
TPSA68.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile (CID 2764506) is 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile is N#CCN1CCC(c2cc(-c3ccco3)n[nH]2)CC1.
What is the InChIKey of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile?
The InChIKey is APEZOYURPVWEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-5-8-18-6-3-11(4-7-18)12-10-13(17-16-12)14-2-1-9-19-14/h1-2,9-11H,3-4,6-8H2,(H,16,17).
What are the key properties of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile?
2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile has a molecular weight of 256.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]acetonitrile is sourced from PubChem (CID 2764506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).