2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one

C11H18N2O2 — CID 115809538

IUPAC2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
SMILESCCC(CC)C(=O)c1c(OC)cnn1C
InChIInChI=1S/C11H18N2O2/c1-5-8(6-2)11(14)10-9(15-4)7-12-13(10)3/h7-8H,5-6H2,1-4H3
InChIKeyJKDWYJHMYNLIOY-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.05
Rot. Bonds5

About 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one

2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one (PubChem CID 115809538) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
PubChem CID115809538
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
SMILESCCC(CC)C(=O)c1c(OC)cnn1C
InChIInChI=1S/C11H18N2O2/c1-5-8(6-2)11(14)10-9(15-4)7-12-13(10)3/h7-8H,5-6H2,1-4H3
InChIKeyJKDWYJHMYNLIOY-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 114642497
3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311593
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one
CID 114670977
2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114668516
(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one
CID 103454159
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
CID 104940695
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 105132777
3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one
CID 114641301
2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone
CID 114670723

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one (CID 115809538) is 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one is CCC(CC)C(=O)c1c(OC)cnn1C.
What is the InChIKey of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one?
The InChIKey is JKDWYJHMYNLIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-8(6-2)11(14)10-9(15-4)7-12-13(10)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one?
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one has a molecular weight of 210.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one is sourced from PubChem (CID 115809538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).