4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole

C15H12BrFN2S — CID 59281344

IUPAC4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole
SMILESCc1nn(Cc2ccsc2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C15H12BrFN2S/c1-10-14(16)15(12-2-4-13(17)5-3-12)19(18-10)8-11-6-7-20-9-11/h2-7,9H,8H2,1H3
InChIKeyRJWBLZMYRGITJS-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.87
Rot. Bonds3

About 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole

4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole (PubChem CID 59281344) has the molecular formula C15H12BrFN2S and a molecular weight of 351.24 g/mol. Its IUPAC name is 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole
PubChem CID59281344
Molecular FormulaC15H12BrFN2S
Molecular Weight351.24 g/mol
Exact Mass349.99
IUPAC Name4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole
SMILESCc1nn(Cc2ccsc2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C15H12BrFN2S/c1-10-14(16)15(12-2-4-13(17)5-3-12)19(18-10)8-11-6-7-20-9-11/h2-7,9H,8H2,1H3
InChIKeyRJWBLZMYRGITJS-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)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 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole?
The IUPAC name of 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole (CID 59281344) is 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole.
What is the SMILES notation for 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole?
The canonical SMILES for 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole is Cc1nn(Cc2ccsc2)c(-c2ccc(F)cc2)c1Br.
What is the InChIKey of 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole?
The InChIKey is RJWBLZMYRGITJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2S/c1-10-14(16)15(12-2-4-13(17)5-3-12)19(18-10)8-11-6-7-20-9-11/h2-7,9H,8H2,1H3.
What are the key properties of 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole?
4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole has a molecular weight of 351.24 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole is sourced from PubChem (CID 59281344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).