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

C14H9F3N2S — CID 57119693

IUPAC5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C14H9F3N2S/c15-14(16,17)10-5-3-9(4-6-10)11-8-12(19-18-11)13-2-1-7-20-13/h1-8H,(H,18,19)
InChIKeyCHPDRFQTLXLRTM-UHFFFAOYSA-N
MW294.30 g/mol
LogP4.82
Rot. Bonds2

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

5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole (PubChem CID 57119693) has the molecular formula C14H9F3N2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
PubChem CID57119693
Molecular FormulaC14H9F3N2S
Molecular Weight294.30 g/mol
Exact Mass294.04
IUPAC Name5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C14H9F3N2S/c15-14(16,17)10-5-3-9(4-6-10)11-8-12(19-18-11)13-2-1-7-20-13/h1-8H,(H,18,19)
InChIKeyCHPDRFQTLXLRTM-UHFFFAOYSA-N
XLogP4.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-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-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole (CID 57119693) is 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole is FC(F)(F)c1ccc(-c2cc(-c3cccs3)[nH]n2)cc1.
What is the InChIKey of 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The InChIKey is CHPDRFQTLXLRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2S/c15-14(16,17)10-5-3-9(4-6-10)11-8-12(19-18-11)13-2-1-7-20-13/h1-8H,(H,18,19).
What are the key properties of 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole has a molecular weight of 294.30 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 57119693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).