5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole

C15H8BrF3N2 — CID 135133090

IUPAC5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(-c3c(F)cccc3Br)[nH]n2)c(F)c1
InChIInChI=1S/C15H8BrF3N2/c16-10-2-1-3-11(18)15(10)14-7-13(20-21-14)9-5-4-8(17)6-12(9)19/h1-7H,(H,20,21)
InChIKeyCAGJNMBQCWNQGR-UHFFFAOYSA-N
MW353.14 g/mol
LogP4.92
Rot. Bonds2

About 5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole

5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole (PubChem CID 135133090) has the molecular formula C15H8BrF3N2 and a molecular weight of 353.14 g/mol. Its IUPAC name is 5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole
PubChem CID135133090
Molecular FormulaC15H8BrF3N2
Molecular Weight353.14 g/mol
Exact Mass351.98
IUPAC Name5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(-c3c(F)cccc3Br)[nH]n2)c(F)c1
InChIInChI=1S/C15H8BrF3N2/c16-10-2-1-3-11(18)15(10)14-7-13(20-21-14)9-5-4-8(17)6-12(9)19/h1-7H,(H,20,21)
InChIKeyCAGJNMBQCWNQGR-UHFFFAOYSA-N
XLogP4.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.14
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole?
The IUPAC name of 5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole (CID 135133090) is 5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole is Fc1ccc(-c2cc(-c3c(F)cccc3Br)[nH]n2)c(F)c1.
What is the InChIKey of 5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole?
The InChIKey is CAGJNMBQCWNQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2/c16-10-2-1-3-11(18)15(10)14-7-13(20-21-14)9-5-4-8(17)6-12(9)19/h1-7H,(H,20,21).
What are the key properties of 5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole?
5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole has a molecular weight of 353.14 g/mol, XLogP of 4.92, 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-(2,4-difluorophenyl)-1H-pyrazole is sourced from PubChem (CID 135133090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).