1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one

C15H24N2O2 — CID 64783537

IUPAC1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
SMILESCCC(CC)n1ccc(CC(=O)CC2CCCO2)n1
InChIInChI=1S/C15H24N2O2/c1-3-13(4-2)17-8-7-12(16-17)10-14(18)11-15-6-5-9-19-15/h7-8,13,15H,3-6,9-11H2,1-2H3
InChIKeyYNUKGCVAXHXWSV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.92
Rot. Bonds7

About 1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one

1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one (PubChem CID 64783537) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
PubChem CID64783537
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
SMILESCCC(CC)n1ccc(CC(=O)CC2CCCO2)n1
InChIInChI=1S/C15H24N2O2/c1-3-13(4-2)17-8-7-12(16-17)10-14(18)11-15-6-5-9-19-15/h7-8,13,15H,3-6,9-11H2,1-2H3
InChIKeyYNUKGCVAXHXWSV-UHFFFAOYSA-N
XLogP2.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one (CID 64783537) is 1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one is CCC(CC)n1ccc(CC(=O)CC2CCCO2)n1.
What is the InChIKey of 1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The InChIKey is YNUKGCVAXHXWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-13(4-2)17-8-7-12(16-17)10-14(18)11-15-6-5-9-19-15/h7-8,13,15H,3-6,9-11H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one has a molecular weight of 264.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 64783537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).