4-bromo-1-thiophen-3-ylpyrazole

C7H5BrN2S — CID 66521246

IUPAC4-bromo-1-thiophen-3-ylpyrazole
SMILESBrc1cnn(-c2ccsc2)c1
InChIInChI=1S/C7H5BrN2S/c8-6-3-9-10(4-6)7-1-2-11-5-7/h1-5H
InChIKeyQTNOSDWLUSBZAC-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.70
Rot. Bonds1

About 4-bromo-1-thiophen-3-ylpyrazole

4-bromo-1-thiophen-3-ylpyrazole (PubChem CID 66521246) has the molecular formula C7H5BrN2S and a molecular weight of 229.10 g/mol. Its IUPAC name is 4-bromo-1-thiophen-3-ylpyrazole.

Molecular Properties

Compound Name4-bromo-1-thiophen-3-ylpyrazole
PubChem CID66521246
Molecular FormulaC7H5BrN2S
Molecular Weight229.10 g/mol
Exact Mass227.94
IUPAC Name4-bromo-1-thiophen-3-ylpyrazole
SMILESBrc1cnn(-c2ccsc2)c1
InChIInChI=1S/C7H5BrN2S/c8-6-3-9-10(4-6)7-1-2-11-5-7/h1-5H
InChIKeyQTNOSDWLUSBZAC-UHFFFAOYSA-N
XLogP2.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-thiophen-3-ylpyrazole?
The IUPAC name of 4-bromo-1-thiophen-3-ylpyrazole (CID 66521246) is 4-bromo-1-thiophen-3-ylpyrazole.
What is the SMILES notation for 4-bromo-1-thiophen-3-ylpyrazole?
The canonical SMILES for 4-bromo-1-thiophen-3-ylpyrazole is Brc1cnn(-c2ccsc2)c1.
What is the InChIKey of 4-bromo-1-thiophen-3-ylpyrazole?
The InChIKey is QTNOSDWLUSBZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S/c8-6-3-9-10(4-6)7-1-2-11-5-7/h1-5H.
What are the key properties of 4-bromo-1-thiophen-3-ylpyrazole?
4-bromo-1-thiophen-3-ylpyrazole has a molecular weight of 229.10 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-thiophen-3-ylpyrazole is sourced from PubChem (CID 66521246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).