3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole

C10H10Br2N2S — CID 67260594

IUPAC3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C10H10Br2N2S/c1-6(2)14-4-3-8(13-14)9-5-7(11)10(12)15-9/h3-6H,1-2H3
InChIKeyHYCYQIJPFJXIJZ-UHFFFAOYSA-N
MW350.08 g/mol
LogP4.72
Rot. Bonds2

About 3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole

3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole (PubChem CID 67260594) has the molecular formula C10H10Br2N2S and a molecular weight of 350.08 g/mol. Its IUPAC name is 3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole
PubChem CID67260594
Molecular FormulaC10H10Br2N2S
Molecular Weight350.08 g/mol
Exact Mass347.89
IUPAC Name3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C10H10Br2N2S/c1-6(2)14-4-3-8(13-14)9-5-7(11)10(12)15-9/h3-6H,1-2H3
InChIKeyHYCYQIJPFJXIJZ-UHFFFAOYSA-N
XLogP4.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.08
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole (CID 67260594) is 3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole is CC(C)n1ccc(-c2cc(Br)c(Br)s2)n1.
What is the InChIKey of 3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole?
The InChIKey is HYCYQIJPFJXIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2S/c1-6(2)14-4-3-8(13-14)9-5-7(11)10(12)15-9/h3-6H,1-2H3.
What are the key properties of 3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole?
3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole has a molecular weight of 350.08 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dibromothiophen-2-yl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 67260594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).