4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole

C17H13BrF2N2 — CID 67074268

IUPAC4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole
SMILESCC(c1ccccc1F)n1cc(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13BrF2N2/c1-11(14-4-2-3-5-16(14)20)22-10-15(18)17(21-22)12-6-8-13(19)9-7-12/h2-11H,1H3
InChIKeyNYNMUUZTSHUVIQ-UHFFFAOYSA-N
MW363.21 g/mol
LogP5.20
Rot. Bonds3

About 4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole

4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole (PubChem CID 67074268) has the molecular formula C17H13BrF2N2 and a molecular weight of 363.21 g/mol. Its IUPAC name is 4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole.

Molecular Properties

Compound Name4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole
PubChem CID67074268
Molecular FormulaC17H13BrF2N2
Molecular Weight363.21 g/mol
Exact Mass362.02
IUPAC Name4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole
SMILESCC(c1ccccc1F)n1cc(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13BrF2N2/c1-11(14-4-2-3-5-16(14)20)22-10-15(18)17(21-22)12-6-8-13(19)9-7-12/h2-11H,1H3
InChIKeyNYNMUUZTSHUVIQ-UHFFFAOYSA-N
XLogP5.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.21
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole?
The IUPAC name of 4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole (CID 67074268) is 4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole.
What is the SMILES notation for 4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole?
The canonical SMILES for 4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole is CC(c1ccccc1F)n1cc(Br)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole?
The InChIKey is NYNMUUZTSHUVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2/c1-11(14-4-2-3-5-16(14)20)22-10-15(18)17(21-22)12-6-8-13(19)9-7-12/h2-11H,1H3.
What are the key properties of 4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole?
4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole has a molecular weight of 363.21 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazole is sourced from PubChem (CID 67074268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).