5-(3-bromothiophen-2-yl)-1H-pyrazole

C7H5BrN2S — CID 1478049

IUPAC5-(3-bromothiophen-2-yl)-1H-pyrazole
SMILESBrc1ccsc1-c1ccn[nH]1
InChIInChI=1S/C7H5BrN2S/c8-5-2-4-11-7(5)6-1-3-9-10-6/h1-4H,(H,9,10)
InChIKeyGHQQEFVAZIMSDU-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.90
Rot. Bonds1

About 5-(3-bromothiophen-2-yl)-1H-pyrazole

5-(3-bromothiophen-2-yl)-1H-pyrazole (PubChem CID 1478049) has the molecular formula C7H5BrN2S and a molecular weight of 229.10 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-1H-pyrazole
PubChem CID1478049
Molecular FormulaC7H5BrN2S
Molecular Weight229.10 g/mol
Exact Mass227.94
IUPAC Name5-(3-bromothiophen-2-yl)-1H-pyrazole
SMILESBrc1ccsc1-c1ccn[nH]1
InChIInChI=1S/C7H5BrN2S/c8-5-2-4-11-7(5)6-1-3-9-10-6/h1-4H,(H,9,10)
InChIKeyGHQQEFVAZIMSDU-UHFFFAOYSA-N
XLogP2.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-1H-pyrazole?
The IUPAC name of 5-(3-bromothiophen-2-yl)-1H-pyrazole (CID 1478049) is 5-(3-bromothiophen-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-1H-pyrazole is Brc1ccsc1-c1ccn[nH]1.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-1H-pyrazole?
The InChIKey is GHQQEFVAZIMSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S/c8-5-2-4-11-7(5)6-1-3-9-10-6/h1-4H,(H,9,10).
What are the key properties of 5-(3-bromothiophen-2-yl)-1H-pyrazole?
5-(3-bromothiophen-2-yl)-1H-pyrazole has a molecular weight of 229.10 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-1H-pyrazole is sourced from PubChem (CID 1478049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).