1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one

C10H15BrN2O2 — CID 114640288

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one
SMILESCCOC(C)C(=O)c1c(Br)cnn1CC
InChIInChI=1S/C10H15BrN2O2/c1-4-13-9(8(11)6-12-13)10(14)7(3)15-5-2/h6-7H,4-5H2,1-3H3
InChIKeyYLVCJTXMYFFTMK-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.27
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one

1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one (PubChem CID 114640288) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one
PubChem CID114640288
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one
SMILESCCOC(C)C(=O)c1c(Br)cnn1CC
InChIInChI=1S/C10H15BrN2O2/c1-4-13-9(8(11)6-12-13)10(14)7(3)15-5-2/h6-7H,4-5H2,1-3H3
InChIKeyYLVCJTXMYFFTMK-UHFFFAOYSA-N
XLogP2.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 114640294
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114671231
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-3-methylbutan-1-one
CID 114642571
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethanone
CID 114641403
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
CID 114639502
2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one
CID 64540904
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114640394
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
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxypentan-1-one
CID 114642528
1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-one
CID 103023528

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one (CID 114640288) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one is CCOC(C)C(=O)c1c(Br)cnn1CC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one?
The InChIKey is YLVCJTXMYFFTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-4-13-9(8(11)6-12-13)10(14)7(3)15-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one has a molecular weight of 275.15 g/mol, XLogP of 2.27, 5 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-ethoxypropan-1-one is sourced from PubChem (CID 114640288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).