4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole

C11H10BrFN2 — CID 67074035

IUPAC4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole
SMILESCCn1cc(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H10BrFN2/c1-2-15-7-10(12)11(14-15)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyZKYKTDMXDJDRTD-UHFFFAOYSA-N
MW269.12 g/mol
LogP3.47
Rot. Bonds2

About 4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole

4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole (PubChem CID 67074035) has the molecular formula C11H10BrFN2 and a molecular weight of 269.12 g/mol. Its IUPAC name is 4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole
PubChem CID67074035
Molecular FormulaC11H10BrFN2
Molecular Weight269.12 g/mol
Exact Mass268.00
IUPAC Name4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole
SMILESCCn1cc(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H10BrFN2/c1-2-15-7-10(12)11(14-15)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyZKYKTDMXDJDRTD-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 53.47
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-(4-fluorophenyl)pyrazole?
The IUPAC name of 4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole (CID 67074035) is 4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole?
The canonical SMILES for 4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole is CCn1cc(Br)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole?
The InChIKey is ZKYKTDMXDJDRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2/c1-2-15-7-10(12)11(14-15)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3.
What are the key properties of 4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole?
4-bromo-1-ethyl-3-(4-fluorophenyl)pyrazole has a molecular weight of 269.12 g/mol, XLogP of 3.47, 2 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-(4-fluorophenyl)pyrazole is sourced from PubChem (CID 67074035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).