3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole

C14H11FN2S — CID 57090122

IUPAC3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole
SMILESCc1c(-c2ccc(F)cc2)n[nH]c1-c1cccs1
InChIInChI=1S/C14H11FN2S/c1-9-13(10-4-6-11(15)7-5-10)16-17-14(9)12-3-2-8-18-12/h2-8H,1H3,(H,16,17)
InChIKeyCACCLVCHPLRUGZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.25
Rot. Bonds2

About 3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole

3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole (PubChem CID 57090122) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole
PubChem CID57090122
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole
SMILESCc1c(-c2ccc(F)cc2)n[nH]c1-c1cccs1
InChIInChI=1S/C14H11FN2S/c1-9-13(10-4-6-11(15)7-5-10)16-17-14(9)12-3-2-8-18-12/h2-8H,1H3,(H,16,17)
InChIKeyCACCLVCHPLRUGZ-UHFFFAOYSA-N
XLogP4.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-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 3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole (CID 57090122) is 3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole is Cc1c(-c2ccc(F)cc2)n[nH]c1-c1cccs1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole?
The InChIKey is CACCLVCHPLRUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c1-9-13(10-4-6-11(15)7-5-10)16-17-14(9)12-3-2-8-18-12/h2-8H,1H3,(H,16,17).
What are the key properties of 3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole?
3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole has a molecular weight of 258.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-5-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 57090122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).