4-bromo-3-ethyl-1-methylpyrazole

C6H9BrN2 — CID 66008692

IUPAC4-bromo-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)cc1Br
InChIInChI=1S/C6H9BrN2/c1-3-6-5(7)4-9(2)8-6/h4H,3H2,1-2H3
InChIKeyFYLFWBNPLFJESH-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.75
Rot. Bonds1

About 4-bromo-3-ethyl-1-methylpyrazole

4-bromo-3-ethyl-1-methylpyrazole (PubChem CID 66008692) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 4-bromo-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-3-ethyl-1-methylpyrazole
PubChem CID66008692
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name4-bromo-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)cc1Br
InChIInChI=1S/C6H9BrN2/c1-3-6-5(7)4-9(2)8-6/h4H,3H2,1-2H3
InChIKeyFYLFWBNPLFJESH-UHFFFAOYSA-N
XLogP1.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethyl-1-methylpyrazole?
The IUPAC name of 4-bromo-3-ethyl-1-methylpyrazole (CID 66008692) is 4-bromo-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 4-bromo-3-ethyl-1-methylpyrazole?
The canonical SMILES for 4-bromo-3-ethyl-1-methylpyrazole is CCc1nn(C)cc1Br.
What is the InChIKey of 4-bromo-3-ethyl-1-methylpyrazole?
The InChIKey is FYLFWBNPLFJESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-3-6-5(7)4-9(2)8-6/h4H,3H2,1-2H3.
What are the key properties of 4-bromo-3-ethyl-1-methylpyrazole?
4-bromo-3-ethyl-1-methylpyrazole has a molecular weight of 189.06 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 66008692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).