1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone

C10H14N2O2 — CID 105448097

IUPAC1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccnn1C1CCOCC1
InChIInChI=1S/C10H14N2O2/c1-8(13)10-2-5-11-12(10)9-3-6-14-7-4-9/h2,5,9H,3-4,6-7H2,1H3
InChIKeyWGQVQKMUIQRQHA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.44
Rot. Bonds2

About 1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone

1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone (PubChem CID 105448097) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone
PubChem CID105448097
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccnn1C1CCOCC1
InChIInChI=1S/C10H14N2O2/c1-8(13)10-2-5-11-12(10)9-3-6-14-7-4-9/h2,5,9H,3-4,6-7H2,1H3
InChIKeyWGQVQKMUIQRQHA-UHFFFAOYSA-N
XLogP1.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone?
The IUPAC name of 1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone (CID 105448097) is 1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone is CC(=O)c1ccnn1C1CCOCC1.
What is the InChIKey of 1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone?
The InChIKey is WGQVQKMUIQRQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(13)10-2-5-11-12(10)9-3-6-14-7-4-9/h2,5,9H,3-4,6-7H2,1H3.
What are the key properties of 1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone?
1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-yl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 105448097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).