(3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone

C11H11BrN2O2 — CID 105101696

IUPAC(3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)c1occc1Br
InChIInChI=1S/C11H11BrN2O2/c1-3-14-9(6-7(2)13-14)10(15)11-8(12)4-5-16-11/h4-6H,3H2,1-2H3
InChIKeyKQMXJOAASFRGJL-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.80
Rot. Bonds3

About (3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone

(3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 105101696) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID105101696
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name(3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)c1occc1Br
InChIInChI=1S/C11H11BrN2O2/c1-3-14-9(6-7(2)13-14)10(15)11-8(12)4-5-16-11/h4-6H,3H2,1-2H3
InChIKeyKQMXJOAASFRGJL-UHFFFAOYSA-N
XLogP2.80
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 105135353
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CID 113278409
N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 81027249
2-(3-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 105092870
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-3-yl)ethanone
CID 105126066
(2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone
CID 105079847
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
(2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 105132100
2-(5-bromo-2-pyridinyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 105128789
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbut-2-en-1-one
CID 105112858
cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 106656109
1-(2-ethyl-5-methylpyrazol-3-yl)but-3-en-1-one
CID 105083176

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 105101696) is (3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is KQMXJOAASFRGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-14-9(6-7(2)13-14)10(15)11-8(12)4-5-16-11/h4-6H,3H2,1-2H3.
What are the key properties of (3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
(3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 283.12 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 105101696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).