1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one

C10H15BrN2O2 — CID 103446694

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one
SMILESCCn1ncc(Br)c1C(=O)C(C)(O)CC
InChIInChI=1S/C10H15BrN2O2/c1-4-10(3,15)9(14)8-7(11)6-12-13(8)5-2/h6,15H,4-5H2,1-3H3
InChIKeyWJVHDOSCIRZACL-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.01
Rot. Bonds4

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

1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one (PubChem CID 103446694) 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-hydroxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one
PubChem CID103446694
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one
SMILESCCn1ncc(Br)c1C(=O)C(C)(O)CC
InChIInChI=1S/C10H15BrN2O2/c1-4-10(3,15)9(14)8-7(11)6-12-13(8)5-2/h6,15H,4-5H2,1-3H3
InChIKeyWJVHDOSCIRZACL-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-hydroxy-2-methylbutan-1-one
CID 103446610
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 114641152
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669734
1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-one
CID 103023528
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethylbutan-1-one
CID 115806154
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114671182
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
CID 114639502
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-methylbutan-1-one
CID 114642645
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one
CID 114642631
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114671231

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one (CID 103446694) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one is CCn1ncc(Br)c1C(=O)C(C)(O)CC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one?
The InChIKey is WJVHDOSCIRZACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-4-10(3,15)9(14)8-7(11)6-12-13(8)5-2/h6,15H,4-5H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one has a molecular weight of 275.15 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 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-hydroxy-2-methylbutan-1-one is sourced from PubChem (CID 103446694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).