(1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone

C11H16N2O2 — CID 65328994

IUPAC(1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone
SMILESCCn1cc(C(=O)C2CCOCC2)cn1
InChIInChI=1S/C11H16N2O2/c1-2-13-8-10(7-12-13)11(14)9-3-5-15-6-4-9/h7-9H,2-6H2,1H3
InChIKeyDYJNJRMZGVRANI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.51
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone

(1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone (PubChem CID 65328994) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone
PubChem CID65328994
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone
SMILESCCn1cc(C(=O)C2CCOCC2)cn1
InChIInChI=1S/C11H16N2O2/c1-2-13-8-10(7-12-13)11(14)9-3-5-15-6-4-9/h7-9H,2-6H2,1H3
InChIKeyDYJNJRMZGVRANI-UHFFFAOYSA-N
XLogP1.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone (CID 65328994) is (1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone is CCn1cc(C(=O)C2CCOCC2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone?
The InChIKey is DYJNJRMZGVRANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-13-8-10(7-12-13)11(14)9-3-5-15-6-4-9/h7-9H,2-6H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone?
(1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 65328994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).