3-bromo-1-thiophen-2-ylpyrazole

C7H5BrN2S — CID 172993524

IUPAC3-bromo-1-thiophen-2-ylpyrazole
SMILESBrc1ccn(-c2cccs2)n1
InChIInChI=1S/C7H5BrN2S/c8-6-3-4-10(9-6)7-2-1-5-11-7/h1-5H
InChIKeyRPYFFUHYXLSQQD-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.70
Rot. Bonds1

About 3-bromo-1-thiophen-2-ylpyrazole

3-bromo-1-thiophen-2-ylpyrazole (PubChem CID 172993524) has the molecular formula C7H5BrN2S and a molecular weight of 229.10 g/mol. Its IUPAC name is 3-bromo-1-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3-bromo-1-thiophen-2-ylpyrazole
PubChem CID172993524
Molecular FormulaC7H5BrN2S
Molecular Weight229.10 g/mol
Exact Mass227.94
IUPAC Name3-bromo-1-thiophen-2-ylpyrazole
SMILESBrc1ccn(-c2cccs2)n1
InChIInChI=1S/C7H5BrN2S/c8-6-3-4-10(9-6)7-2-1-5-11-7/h1-5H
InChIKeyRPYFFUHYXLSQQD-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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Related Compounds

1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
4-Chloro-1-thiophen-2-ylpyrazole
CID 91477161
1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
1-{5-nitro-2-thienyl}-1H-pyrazole
CID 901424
2-Bromo-5-(2-pyrazolyl)thiophene
CID 12554491
4-(Chloromethyl)-1-thiophen-2-ylpyrazole
CID 59759400
4-iodo-5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207269
5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207277
3-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207650
1-(3-Bromothiophen-2-yl)pyrazole
CID 68656065

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-thiophen-2-ylpyrazole?
The IUPAC name of 3-bromo-1-thiophen-2-ylpyrazole (CID 172993524) is 3-bromo-1-thiophen-2-ylpyrazole.
What is the SMILES notation for 3-bromo-1-thiophen-2-ylpyrazole?
The canonical SMILES for 3-bromo-1-thiophen-2-ylpyrazole is Brc1ccn(-c2cccs2)n1.
What is the InChIKey of 3-bromo-1-thiophen-2-ylpyrazole?
The InChIKey is RPYFFUHYXLSQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S/c8-6-3-4-10(9-6)7-2-1-5-11-7/h1-5H.
What are the key properties of 3-bromo-1-thiophen-2-ylpyrazole?
3-bromo-1-thiophen-2-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 3-bromo-1-thiophen-2-ylpyrazole is sourced from PubChem (CID 172993524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).