1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone

C13H14N2O2 — CID 14435008

IUPAC1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccco2)nn2c1CCCC2
InChIInChI=1S/C13H14N2O2/c1-9(16)12-10-5-2-3-7-15(10)14-13(12)11-6-4-8-17-11/h4,6,8H,2-3,5,7H2,1H3
InChIKeyNRDGFCMGVZEYRI-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.68
Rot. Bonds2

About 1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone

1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone (PubChem CID 14435008) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone
PubChem CID14435008
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccco2)nn2c1CCCC2
InChIInChI=1S/C13H14N2O2/c1-9(16)12-10-5-2-3-7-15(10)14-13(12)11-6-4-8-17-11/h4,6,8H,2-3,5,7H2,1H3
InChIKeyNRDGFCMGVZEYRI-UHFFFAOYSA-N
XLogP2.68
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone (CID 14435008) is 1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone is CC(=O)c1c(-c2ccco2)nn2c1CCCC2.
What is the InChIKey of 1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone?
The InChIKey is NRDGFCMGVZEYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(16)12-10-5-2-3-7-15(10)14-13(12)11-6-4-8-17-11/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone?
1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone has a molecular weight of 230.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 14435008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).