5-bromo-4-ethyl-1H-pyrazole

C5H7BrN2 — CID 84655098

IUPAC5-bromo-4-ethyl-1H-pyrazole
SMILESCCc1cn[nH]c1Br
InChIInChI=1S/C5H7BrN2/c1-2-4-3-7-8-5(4)6/h3H,2H2,1H3,(H,7,8)
InChIKeyYRRIOSWXKQSUPW-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.73
Rot. Bonds1

About 5-bromo-4-ethyl-1H-pyrazole

5-bromo-4-ethyl-1H-pyrazole (PubChem CID 84655098) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 5-bromo-4-ethyl-1H-pyrazole.

Molecular Properties

Compound Name5-bromo-4-ethyl-1H-pyrazole
PubChem CID84655098
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name5-bromo-4-ethyl-1H-pyrazole
SMILESCCc1cn[nH]c1Br
InChIInChI=1S/C5H7BrN2/c1-2-4-3-7-8-5(4)6/h3H,2H2,1H3,(H,7,8)
InChIKeyYRRIOSWXKQSUPW-UHFFFAOYSA-N
XLogP1.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethyl-1H-pyrazole?
The IUPAC name of 5-bromo-4-ethyl-1H-pyrazole (CID 84655098) is 5-bromo-4-ethyl-1H-pyrazole.
What is the SMILES notation for 5-bromo-4-ethyl-1H-pyrazole?
The canonical SMILES for 5-bromo-4-ethyl-1H-pyrazole is CCc1cn[nH]c1Br.
What is the InChIKey of 5-bromo-4-ethyl-1H-pyrazole?
The InChIKey is YRRIOSWXKQSUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-2-4-3-7-8-5(4)6/h3H,2H2,1H3,(H,7,8).
What are the key properties of 5-bromo-4-ethyl-1H-pyrazole?
5-bromo-4-ethyl-1H-pyrazole has a molecular weight of 175.03 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethyl-1H-pyrazole is sourced from PubChem (CID 84655098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).