1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone

C8H11BrN2O2 — CID 114639502

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
SMILESCCn1ncc(Br)c1C(=O)COC
InChIInChI=1S/C8H11BrN2O2/c1-3-11-8(6(9)4-10-11)7(12)5-13-2/h4H,3,5H2,1-2H3
InChIKeyUZALJPPQCLMOLA-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.49
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone

1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone (PubChem CID 114639502) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
PubChem CID114639502
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
SMILESCCn1ncc(Br)c1C(=O)COC
InChIInChI=1S/C8H11BrN2O2/c1-3-11-8(6(9)4-10-11)7(12)5-13-2/h4H,3,5H2,1-2H3
InChIKeyUZALJPPQCLMOLA-UHFFFAOYSA-N
XLogP1.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114640394
1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-one
CID 103023528
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(4-chlorophenoxy)ethanone
CID 105130160
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669734
4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 19476830
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543833
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one
CID 114640288
1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446694
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
CID 103373313
1-(4-bromo-1-ethylpyrazol-5-yl)-3-cyclohexylpropan-1-one
CID 115803375

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone (CID 114639502) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone is CCn1ncc(Br)c1C(=O)COC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone?
The InChIKey is UZALJPPQCLMOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-3-11-8(6(9)4-10-11)7(12)5-13-2/h4H,3,5H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone has a molecular weight of 247.09 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone is sourced from PubChem (CID 114639502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).