4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole

C8H6BrClN2S — CID 83745283

IUPAC4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole
SMILESCn1ncc(Br)c1-c1ccc(Cl)s1
InChIInChI=1S/C8H6BrClN2S/c1-12-8(5(9)4-11-12)6-2-3-7(10)13-6/h2-4H,1H3
InChIKeyUNIRYUBASGFUCH-UHFFFAOYSA-N
MW277.57 g/mol
LogP3.56
Rot. Bonds1

About 4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole

4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole (PubChem CID 83745283) has the molecular formula C8H6BrClN2S and a molecular weight of 277.57 g/mol. Its IUPAC name is 4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole
PubChem CID83745283
Molecular FormulaC8H6BrClN2S
Molecular Weight277.57 g/mol
Exact Mass275.91
IUPAC Name4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole
SMILESCn1ncc(Br)c1-c1ccc(Cl)s1
InChIInChI=1S/C8H6BrClN2S/c1-12-8(5(9)4-11-12)6-2-3-7(10)13-6/h2-4H,1H3
InChIKeyUNIRYUBASGFUCH-UHFFFAOYSA-N
XLogP3.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.57
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole?
The IUPAC name of 4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole (CID 83745283) is 4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole is Cn1ncc(Br)c1-c1ccc(Cl)s1.
What is the InChIKey of 4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole?
The InChIKey is UNIRYUBASGFUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2S/c1-12-8(5(9)4-11-12)6-2-3-7(10)13-6/h2-4H,1H3.
What are the key properties of 4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole?
4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole has a molecular weight of 277.57 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(5-chlorothiophen-2-yl)-1-methylpyrazole is sourced from PubChem (CID 83745283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).