1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one

C11H18N2O2 — CID 116746800

IUPAC1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one
SMILESCCn1nccc1C(=O)C(C)(CC)OC
InChIInChI=1S/C11H18N2O2/c1-5-11(3,15-4)10(14)9-7-8-12-13(9)6-2/h7-8H,5-6H2,1-4H3
InChIKeyBYYBYPUOIZRSFR-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.90
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one

1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one (PubChem CID 116746800) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one
PubChem CID116746800
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one
SMILESCCn1nccc1C(=O)C(C)(CC)OC
InChIInChI=1S/C11H18N2O2/c1-5-11(3,15-4)10(14)9-7-8-12-13(9)6-2/h7-8H,5-6H2,1-4H3
InChIKeyBYYBYPUOIZRSFR-UHFFFAOYSA-N
XLogP1.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one (CID 116746800) is 1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one is CCn1nccc1C(=O)C(C)(CC)OC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one?
The InChIKey is BYYBYPUOIZRSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-11(3,15-4)10(14)9-7-8-12-13(9)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one?
1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one has a molecular weight of 210.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one is sourced from PubChem (CID 116746800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).