5-bromo-1-ethylpyrazole

C5H7BrN2 — CID 52644196

IUPAC5-bromo-1-ethylpyrazole
SMILESCCn1nccc1Br
InChIInChI=1S/C5H7BrN2/c1-2-8-5(6)3-4-7-8/h3-4H,2H2,1H3
InChIKeyGHCZXPXCEJYMOF-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.67
Rot. Bonds1

About 5-bromo-1-ethylpyrazole

5-bromo-1-ethylpyrazole (PubChem CID 52644196) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 5-bromo-1-ethylpyrazole.

Molecular Properties

Compound Name5-bromo-1-ethylpyrazole
PubChem CID52644196
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name5-bromo-1-ethylpyrazole
SMILESCCn1nccc1Br
InChIInChI=1S/C5H7BrN2/c1-2-8-5(6)3-4-7-8/h3-4H,2H2,1H3
InChIKeyGHCZXPXCEJYMOF-UHFFFAOYSA-N
XLogP1.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethylpyrazole?
The IUPAC name of 5-bromo-1-ethylpyrazole (CID 52644196) is 5-bromo-1-ethylpyrazole.
What is the SMILES notation for 5-bromo-1-ethylpyrazole?
The canonical SMILES for 5-bromo-1-ethylpyrazole is CCn1nccc1Br.
What is the InChIKey of 5-bromo-1-ethylpyrazole?
The InChIKey is GHCZXPXCEJYMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-2-8-5(6)3-4-7-8/h3-4H,2H2,1H3.
What are the key properties of 5-bromo-1-ethylpyrazole?
5-bromo-1-ethylpyrazole has a molecular weight of 175.03 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethylpyrazole is sourced from PubChem (CID 52644196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).