3-(4-bromothiophen-2-yl)-1-ethylpyrazole

C9H9BrN2S — CID 67260598

IUPAC3-(4-bromothiophen-2-yl)-1-ethylpyrazole
SMILESCCn1ccc(-c2cc(Br)cs2)n1
InChIInChI=1S/C9H9BrN2S/c1-2-12-4-3-8(11-12)9-5-7(10)6-13-9/h3-6H,2H2,1H3
InChIKeyRQBFRFMGPTUWDZ-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.39
Rot. Bonds2

About 3-(4-bromothiophen-2-yl)-1-ethylpyrazole

3-(4-bromothiophen-2-yl)-1-ethylpyrazole (PubChem CID 67260598) has the molecular formula C9H9BrN2S and a molecular weight of 257.16 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-1-ethylpyrazole.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-1-ethylpyrazole
PubChem CID67260598
Molecular FormulaC9H9BrN2S
Molecular Weight257.16 g/mol
Exact Mass255.97
IUPAC Name3-(4-bromothiophen-2-yl)-1-ethylpyrazole
SMILESCCn1ccc(-c2cc(Br)cs2)n1
InChIInChI=1S/C9H9BrN2S/c1-2-12-4-3-8(11-12)9-5-7(10)6-13-9/h3-6H,2H2,1H3
InChIKeyRQBFRFMGPTUWDZ-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-1-ethylpyrazole?
The IUPAC name of 3-(4-bromothiophen-2-yl)-1-ethylpyrazole (CID 67260598) is 3-(4-bromothiophen-2-yl)-1-ethylpyrazole.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-1-ethylpyrazole?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-1-ethylpyrazole is CCn1ccc(-c2cc(Br)cs2)n1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-1-ethylpyrazole?
The InChIKey is RQBFRFMGPTUWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2S/c1-2-12-4-3-8(11-12)9-5-7(10)6-13-9/h3-6H,2H2,1H3.
What are the key properties of 3-(4-bromothiophen-2-yl)-1-ethylpyrazole?
3-(4-bromothiophen-2-yl)-1-ethylpyrazole has a molecular weight of 257.16 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-1-ethylpyrazole is sourced from PubChem (CID 67260598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).