4-bromo-3,5-diethyl-1-methylpyrazole

C8H13BrN2 — CID 82703207

IUPAC4-bromo-3,5-diethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC)c1Br
InChIInChI=1S/C8H13BrN2/c1-4-6-8(9)7(5-2)11(3)10-6/h4-5H2,1-3H3
InChIKeyGNQKPOHBAILOPL-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.31
Rot. Bonds2

About 4-bromo-3,5-diethyl-1-methylpyrazole

4-bromo-3,5-diethyl-1-methylpyrazole (PubChem CID 82703207) has the molecular formula C8H13BrN2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 4-bromo-3,5-diethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-3,5-diethyl-1-methylpyrazole
PubChem CID82703207
Molecular FormulaC8H13BrN2
Molecular Weight217.11 g/mol
Exact Mass216.03
IUPAC Name4-bromo-3,5-diethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC)c1Br
InChIInChI=1S/C8H13BrN2/c1-4-6-8(9)7(5-2)11(3)10-6/h4-5H2,1-3H3
InChIKeyGNQKPOHBAILOPL-UHFFFAOYSA-N
XLogP2.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-diethyl-1-methylpyrazole?
The IUPAC name of 4-bromo-3,5-diethyl-1-methylpyrazole (CID 82703207) is 4-bromo-3,5-diethyl-1-methylpyrazole.
What is the SMILES notation for 4-bromo-3,5-diethyl-1-methylpyrazole?
The canonical SMILES for 4-bromo-3,5-diethyl-1-methylpyrazole is CCc1nn(C)c(CC)c1Br.
What is the InChIKey of 4-bromo-3,5-diethyl-1-methylpyrazole?
The InChIKey is GNQKPOHBAILOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2/c1-4-6-8(9)7(5-2)11(3)10-6/h4-5H2,1-3H3.
What are the key properties of 4-bromo-3,5-diethyl-1-methylpyrazole?
4-bromo-3,5-diethyl-1-methylpyrazole has a molecular weight of 217.11 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-diethyl-1-methylpyrazole is sourced from PubChem (CID 82703207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).