5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole

C15H10BrFN2 — CID 134462778

IUPAC5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole
SMILESFc1cccc(Br)c1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H10BrFN2/c16-11-7-4-8-12(17)15(11)14-9-13(18-19-14)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChIKeyISWMKAPRUHSKHM-UHFFFAOYSA-N
MW317.16 g/mol
LogP4.65
Rot. Bonds2

About 5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole

5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole (PubChem CID 134462778) has the molecular formula C15H10BrFN2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole
PubChem CID134462778
Molecular FormulaC15H10BrFN2
Molecular Weight317.16 g/mol
Exact Mass316.00
IUPAC Name5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole
SMILESFc1cccc(Br)c1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H10BrFN2/c16-11-7-4-8-12(17)15(11)14-9-13(18-19-14)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChIKeyISWMKAPRUHSKHM-UHFFFAOYSA-N
XLogP4.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole?
The IUPAC name of 5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole (CID 134462778) is 5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole is Fc1cccc(Br)c1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole?
The InChIKey is ISWMKAPRUHSKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2/c16-11-7-4-8-12(17)15(11)14-9-13(18-19-14)10-5-2-1-3-6-10/h1-9H,(H,18,19).
What are the key properties of 5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole?
5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole has a molecular weight of 317.16 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-6-fluorophenyl)-3-phenyl-1H-pyrazole is sourced from PubChem (CID 134462778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).