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

C10H9BrN2O2 — CID 130964771

IUPAC2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1C(=O)Cc1ccc(Br)o1
InChIInChI=1S/C10H9BrN2O2/c1-13-8(4-5-12-13)9(14)6-7-2-3-10(11)15-7/h2-5H,6H2,1H3
InChIKeyVFNJWFHQDGKVTQ-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.20
Rot. Bonds3

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

2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone (PubChem CID 130964771) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
PubChem CID130964771
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1C(=O)Cc1ccc(Br)o1
InChIInChI=1S/C10H9BrN2O2/c1-13-8(4-5-12-13)9(14)6-7-2-3-10(11)15-7/h2-5H,6H2,1H3
InChIKeyVFNJWFHQDGKVTQ-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

(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972567
2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 140966460
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
2-(5-bromofuran-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 131047841
1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105100408
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 58394964
3-(2-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 82417604
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentane-1,3-dione
CID 106758284
3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 115345752
(5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972553
2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 63960954
2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 116575594

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone (CID 130964771) is 2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone is Cn1nccc1C(=O)Cc1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone?
The InChIKey is VFNJWFHQDGKVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-13-8(4-5-12-13)9(14)6-7-2-3-10(11)15-7/h2-5H,6H2,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone?
2-(5-bromofuran-2-yl)-1-(2-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-2-yl)-1-(2-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 130964771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).