(3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone

C8H9BrN2OS — CID 130948264

IUPAC(3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone
SMILESO=C(c1sccc1Br)N1CCCN1
InChIInChI=1S/C8H9BrN2OS/c9-6-2-5-13-7(6)8(12)11-4-1-3-10-11/h2,5,10H,1,3-4H2
InChIKeyUQYBTKVAYKBXEM-UHFFFAOYSA-N
MW261.14 g/mol
LogP1.86
Rot. Bonds1

About (3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone

(3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone (PubChem CID 130948264) has the molecular formula C8H9BrN2OS and a molecular weight of 261.14 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone
PubChem CID130948264
Molecular FormulaC8H9BrN2OS
Molecular Weight261.14 g/mol
Exact Mass259.96
IUPAC Name(3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone
SMILESO=C(c1sccc1Br)N1CCCN1
InChIInChI=1S/C8H9BrN2OS/c9-6-2-5-13-7(6)8(12)11-4-1-3-10-11/h2,5,10H,1,3-4H2
InChIKeyUQYBTKVAYKBXEM-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone?
The IUPAC name of (3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone (CID 130948264) is (3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone?
The canonical SMILES for (3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone is O=C(c1sccc1Br)N1CCCN1.
What is the InChIKey of (3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone?
The InChIKey is UQYBTKVAYKBXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2OS/c9-6-2-5-13-7(6)8(12)11-4-1-3-10-11/h2,5,10H,1,3-4H2.
What are the key properties of (3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone?
(3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone has a molecular weight of 261.14 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone is sourced from PubChem (CID 130948264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).