2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone

C10H9BrN2O2 — CID 130631003

IUPAC2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)Cc2coc(Br)c2)n1
InChIInChI=1S/C10H9BrN2O2/c1-13-3-2-8(12-13)9(14)4-7-5-10(11)15-6-7/h2-3,5-6H,4H2,1H3
InChIKeyFZZHPBWLZXHREH-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.20
Rot. Bonds3

About 2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone

2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone (PubChem CID 130631003) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone
PubChem CID130631003
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)Cc2coc(Br)c2)n1
InChIInChI=1S/C10H9BrN2O2/c1-13-3-2-8(12-13)9(14)4-7-5-10(11)15-6-7/h2-3,5-6H,4H2,1H3
InChIKeyFZZHPBWLZXHREH-UHFFFAOYSA-N
XLogP2.20
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195468
2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195473
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 103130364
1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825110
2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
CID 79567430
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-3-yl)propane-1,3-dione
CID 103119486
1-methylpyrazole-3-carboxamide
CID 13464586
1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007529
4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
CID 103133153
2-cyclopentyl-1-(1-methylpyrazol-3-yl)ethanone
CID 65195587
3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
CID 103133867
2-(azetidin-3-yl)-1-(1-methylpyrazol-3-yl)ethanone
CID 103133263

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone (CID 130631003) is 2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(C(=O)Cc2coc(Br)c2)n1.
What is the InChIKey of 2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is FZZHPBWLZXHREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-13-3-2-8(12-13)9(14)4-7-5-10(11)15-6-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone?
2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 269.10 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 130631003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).