4-bromo-1-ethyl-3-methylpyrazole

C6H9BrN2 — CID 4105398

IUPAC4-bromo-1-ethyl-3-methylpyrazole
SMILESCCn1cc(Br)c(C)n1
InChIInChI=1S/C6H9BrN2/c1-3-9-4-6(7)5(2)8-9/h4H,3H2,1-2H3
InChIKeyHYPZYLLRIDYELJ-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.97
Rot. Bonds1

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

4-bromo-1-ethyl-3-methylpyrazole (PubChem CID 4105398) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 4-bromo-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name4-bromo-1-ethyl-3-methylpyrazole
PubChem CID4105398
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name4-bromo-1-ethyl-3-methylpyrazole
SMILESCCn1cc(Br)c(C)n1
InChIInChI=1S/C6H9BrN2/c1-3-9-4-6(7)5(2)8-9/h4H,3H2,1-2H3
InChIKeyHYPZYLLRIDYELJ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-3-methylpyrazole?
The IUPAC name of 4-bromo-1-ethyl-3-methylpyrazole (CID 4105398) is 4-bromo-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 4-bromo-1-ethyl-3-methylpyrazole?
The canonical SMILES for 4-bromo-1-ethyl-3-methylpyrazole is CCn1cc(Br)c(C)n1.
What is the InChIKey of 4-bromo-1-ethyl-3-methylpyrazole?
The InChIKey is HYPZYLLRIDYELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-3-9-4-6(7)5(2)8-9/h4H,3H2,1-2H3.
What are the key properties of 4-bromo-1-ethyl-3-methylpyrazole?
4-bromo-1-ethyl-3-methylpyrazole has a molecular weight of 189.06 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 4105398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).