N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide

C13H19N3O2 — CID 122276274

IUPACN-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NC1CCC12CCOCC2
InChIInChI=1S/C13H19N3O2/c17-12(10-16-7-1-6-14-16)15-11-2-3-13(11)4-8-18-9-5-13/h1,6-7,11H,2-5,8-10H2,(H,15,17)
InChIKeyVLJVETVLSQOFPC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.96
Rot. Bonds3

About N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide

N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide (PubChem CID 122276274) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide
PubChem CID122276274
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NC1CCC12CCOCC2
InChIInChI=1S/C13H19N3O2/c17-12(10-16-7-1-6-14-16)15-11-2-3-13(11)4-8-18-9-5-13/h1,6-7,11H,2-5,8-10H2,(H,15,17)
InChIKeyVLJVETVLSQOFPC-UHFFFAOYSA-N
XLogP0.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide (CID 122276274) is N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NC1CCC12CCOCC2.
What is the InChIKey of N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide?
The InChIKey is VLJVETVLSQOFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12(10-16-7-1-6-14-16)15-11-2-3-13(11)4-8-18-9-5-13/h1,6-7,11H,2-5,8-10H2,(H,15,17).
What are the key properties of N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide?
N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxaspiro[3.5]nonan-3-yl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 122276274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).