(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone

C10H9BrN2OS — CID 105083231

IUPAC(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2csc(Br)c2)cn1
InChIInChI=1S/C10H9BrN2OS/c1-2-13-5-8(4-12-13)10(14)7-3-9(11)15-6-7/h3-6H,2H2,1H3
InChIKeyXJWRPXQVFWRSME-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.96
Rot. Bonds3

About (5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone

(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone (PubChem CID 105083231) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
PubChem CID105083231
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2csc(Br)c2)cn1
InChIInChI=1S/C10H9BrN2OS/c1-2-13-5-8(4-12-13)10(14)7-3-9(11)15-6-7/h3-6H,2H2,1H3
InChIKeyXJWRPXQVFWRSME-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 114963905
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CID 114964489
(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 107944306
(E)-3-(4-bromothiophen-2-yl)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 19543518
(5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 105133000
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone
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(1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
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[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
CID 116548142
1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
CID 114964476
1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
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CID 130594522

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone (CID 105083231) is (5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)c2csc(Br)c2)cn1.
What is the InChIKey of (5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is XJWRPXQVFWRSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-2-13-5-8(4-12-13)10(14)7-3-9(11)15-6-7/h3-6H,2H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone?
(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 285.17 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 105083231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).