3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole

C10H11BrN2S — CID 67260844

IUPAC3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(-c2cc(Br)cs2)n1
InChIInChI=1S/C10H11BrN2S/c1-7(2)13-4-3-9(12-13)10-5-8(11)6-14-10/h3-7H,1-2H3
InChIKeyLJYQBDGGXDOFJC-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.95
Rot. Bonds2

About 3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole

3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole (PubChem CID 67260844) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole
PubChem CID67260844
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(-c2cc(Br)cs2)n1
InChIInChI=1S/C10H11BrN2S/c1-7(2)13-4-3-9(12-13)10-5-8(11)6-14-10/h3-7H,1-2H3
InChIKeyLJYQBDGGXDOFJC-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.95
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-propan-2-ylpyrazole?
The IUPAC name of 3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole (CID 67260844) is 3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole is CC(C)n1ccc(-c2cc(Br)cs2)n1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole?
The InChIKey is LJYQBDGGXDOFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c1-7(2)13-4-3-9(12-13)10-5-8(11)6-14-10/h3-7H,1-2H3.
What are the key properties of 3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole?
3-(4-bromothiophen-2-yl)-1-propan-2-ylpyrazole has a molecular weight of 271.18 g/mol, XLogP of 3.95, 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-propan-2-ylpyrazole is sourced from PubChem (CID 67260844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).