(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone

C10H9BrN2O2 — CID 114964392

IUPAC(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2ccc(Br)o2)cn1
InChIInChI=1S/C10H9BrN2O2/c1-2-13-6-7(5-12-13)10(14)8-3-4-9(11)15-8/h3-6H,2H2,1H3
InChIKeyKZRRSLNDQNHHMC-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.49
Rot. Bonds3

About (5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone

(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone (PubChem CID 114964392) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone
PubChem CID114964392
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2ccc(Br)o2)cn1
InChIInChI=1S/C10H9BrN2O2/c1-2-13-6-7(5-12-13)10(14)8-3-4-9(11)15-8/h3-6H,2H2,1H3
InChIKeyKZRRSLNDQNHHMC-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
CID 116548142
(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 63327124
(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 107944306
(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114885499
(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114964489
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 105083231
1-[1-[(5-bromofuran-2-yl)methyl]pyrazol-4-yl]ethanone
CID 130638091
(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972567
(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594522
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425
1-(5-bromofuran-2-yl)propan-1-one
CID 14547080

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone (CID 114964392) is (5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)c2ccc(Br)o2)cn1.
What is the InChIKey of (5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is KZRRSLNDQNHHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-13-6-7(5-12-13)10(14)8-3-4-9(11)15-8/h3-6H,2H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone?
(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 269.10 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 114964392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).