5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole

C10H6BrFN6 — CID 90029817

IUPAC5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole
SMILESFc1ccccc1-n1ncc(-c2nn[nH]n2)c1Br
InChIInChI=1S/C10H6BrFN6/c11-9-6(10-14-16-17-15-10)5-13-18(9)8-4-2-1-3-7(8)12/h1-5H,(H,14,15,16,17)
InChIKeyFYIQQBLELXMMRJ-UHFFFAOYSA-N
MW309.10 g/mol
LogP1.95
Rot. Bonds2

About 5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole

5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole (PubChem CID 90029817) has the molecular formula C10H6BrFN6 and a molecular weight of 309.10 g/mol. Its IUPAC name is 5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole
PubChem CID90029817
Molecular FormulaC10H6BrFN6
Molecular Weight309.10 g/mol
Exact Mass307.98
IUPAC Name5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole
SMILESFc1ccccc1-n1ncc(-c2nn[nH]n2)c1Br
InChIInChI=1S/C10H6BrFN6/c11-9-6(10-14-16-17-15-10)5-13-18(9)8-4-2-1-3-7(8)12/h1-5H,(H,14,15,16,17)
InChIKeyFYIQQBLELXMMRJ-UHFFFAOYSA-N
XLogP1.95
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.10
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole 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-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole (CID 90029817) is 5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole is Fc1ccccc1-n1ncc(-c2nn[nH]n2)c1Br.
What is the InChIKey of 5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
The InChIKey is FYIQQBLELXMMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN6/c11-9-6(10-14-16-17-15-10)5-13-18(9)8-4-2-1-3-7(8)12/h1-5H,(H,14,15,16,17).
What are the key properties of 5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole has a molecular weight of 309.10 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-1-(2-fluorophenyl)pyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 90029817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).