5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole

C8H4F4N2S — CID 174316135

IUPAC5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole
SMILESFc1csc(-c2ccn[nH]2)c1C(F)(F)F
InChIInChI=1S/C8H4F4N2S/c9-4-3-15-7(5-1-2-13-14-5)6(4)8(10,11)12/h1-3H,(H,13,14)
InChIKeyPDEBGKIJMTUBDG-UHFFFAOYSA-N
MW236.19 g/mol
LogP3.30
Rot. Bonds1

About 5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole

5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole (PubChem CID 174316135) has the molecular formula C8H4F4N2S and a molecular weight of 236.19 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole
PubChem CID174316135
Molecular FormulaC8H4F4N2S
Molecular Weight236.19 g/mol
Exact Mass236.00
IUPAC Name5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole
SMILESFc1csc(-c2ccn[nH]2)c1C(F)(F)F
InChIInChI=1S/C8H4F4N2S/c9-4-3-15-7(5-1-2-13-14-5)6(4)8(10,11)12/h1-3H,(H,13,14)
InChIKeyPDEBGKIJMTUBDG-UHFFFAOYSA-N
XLogP3.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[4-fluoro-3-(trifluoromethyl)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

Related Compounds

5-(2-Thienyl)pyrazole
CID 340711
5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole
CID 612732
3-(2,5-dimethyl-3-thienyl)-1H-pyrazole
CID 3818016
Cyto6G4
CID 2822152
5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 57119693
5-(3-Thienyl)-1h-pyrazole
CID 729699
1-(4-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 17446639
1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43773038
4-[5-(ethylsulfonyl)-2-thienyl]-3-methyl-1H-pyrazole
CID 122557475
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[5-(trifluoromethyl)thiophen-3-yl]methanamine
CID 132350635
3-(4-fluorophenyl)-5-(2-thienyl)-1H-pyrazole
CID 9794827
3-(2,4-difluorophenyl)-5-thiophen-2-yl-1H-pyrazole
CID 9903352

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole?
The IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole (CID 174316135) is 5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole is Fc1csc(-c2ccn[nH]2)c1C(F)(F)F.
What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole?
The InChIKey is PDEBGKIJMTUBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2S/c9-4-3-15-7(5-1-2-13-14-5)6(4)8(10,11)12/h1-3H,(H,13,14).
What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole?
5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole has a molecular weight of 236.19 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole is sourced from PubChem (CID 174316135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).