1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one

C10H15BrN2O2 — CID 114642637

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1c(Br)cnn1C
InChIInChI=1S/C10H15BrN2O2/c1-5-15-10(2,3)9(14)8-7(11)6-12-13(8)4/h6H,5H2,1-4H3
InChIKeyFIERTWYSXDBGHE-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.18
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one

1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one (PubChem CID 114642637) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one
PubChem CID114642637
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1c(Br)cnn1C
InChIInChI=1S/C10H15BrN2O2/c1-5-15-10(2,3)9(14)8-7(11)6-12-13(8)4/h6H,5H2,1-4H3
InChIKeyFIERTWYSXDBGHE-UHFFFAOYSA-N
XLogP2.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one
CID 114642631
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethanone
CID 114641403
1-(4-bromo-1-methylpyrazol-5-yl)-3,3-dimethylbutan-1-one
CID 114640173
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114642639
1-(4-bromo-1-methylpyrazol-5-yl)-3,4,4-trimethylpentan-1-one
CID 115814932
1-(4-bromo-1-methylpyrazol-5-yl)decan-1-one
CID 115814816
1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 4776396
4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 19475064
1-(4-bromo-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 114639107
6-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylhexan-1-one
CID 114669436
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone
CID 114639897
1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114638939

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one (CID 114642637) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one is CCOC(C)(C)C(=O)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one?
The InChIKey is FIERTWYSXDBGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-5-15-10(2,3)9(14)8-7(11)6-12-13(8)4/h6H,5H2,1-4H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one?
1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one has a molecular weight of 275.15 g/mol, XLogP of 2.18, 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-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one is sourced from PubChem (CID 114642637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).