2-methoxy-1-(3-methylpyrazol-1-yl)ethanone

C7H10N2O2 — CID 59826809

IUPAC2-methoxy-1-(3-methylpyrazol-1-yl)ethanone
SMILESCOCC(=O)n1ccc(C)n1
InChIInChI=1S/C7H10N2O2/c1-6-3-4-9(8-6)7(10)5-11-2/h3-4H,5H2,1-2H3
InChIKeyNKZLQJOROATPFJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.48
Rot. Bonds2

About 2-methoxy-1-(3-methylpyrazol-1-yl)ethanone

2-methoxy-1-(3-methylpyrazol-1-yl)ethanone (PubChem CID 59826809) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-methoxy-1-(3-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(3-methylpyrazol-1-yl)ethanone
PubChem CID59826809
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-methoxy-1-(3-methylpyrazol-1-yl)ethanone
SMILESCOCC(=O)n1ccc(C)n1
InChIInChI=1S/C7H10N2O2/c1-6-3-4-9(8-6)7(10)5-11-2/h3-4H,5H2,1-2H3
InChIKeyNKZLQJOROATPFJ-UHFFFAOYSA-N
XLogP0.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methylpyrazol-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(3-methylpyrazol-1-yl)ethanone (CID 59826809) is 2-methoxy-1-(3-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(3-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(3-methylpyrazol-1-yl)ethanone is COCC(=O)n1ccc(C)n1.
What is the InChIKey of 2-methoxy-1-(3-methylpyrazol-1-yl)ethanone?
The InChIKey is NKZLQJOROATPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6-3-4-9(8-6)7(10)5-11-2/h3-4H,5H2,1-2H3.
What are the key properties of 2-methoxy-1-(3-methylpyrazol-1-yl)ethanone?
2-methoxy-1-(3-methylpyrazol-1-yl)ethanone has a molecular weight of 154.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 59826809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).