1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole

C12H7F3N2S — CID 175932777

IUPAC1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2cc3ccccc3s2)n1
InChIInChI=1S/C12H7F3N2S/c13-12(14,15)10-5-6-17(16-10)11-7-8-3-1-2-4-9(8)18-11/h1-7H
InChIKeyQIOUMUKBDXFKFX-UHFFFAOYSA-N
MW268.26 g/mol
LogP4.11
Rot. Bonds1

About 1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole

1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 175932777) has the molecular formula C12H7F3N2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID175932777
Molecular FormulaC12H7F3N2S
Molecular Weight268.26 g/mol
Exact Mass268.03
IUPAC Name1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2cc3ccccc3s2)n1
InChIInChI=1S/C12H7F3N2S/c13-12(14,15)10-5-6-17(16-10)11-7-8-3-1-2-4-9(8)18-11/h1-7H
InChIKeyQIOUMUKBDXFKFX-UHFFFAOYSA-N
XLogP4.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)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 1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole (CID 175932777) is 1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(-c2cc3ccccc3s2)n1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is QIOUMUKBDXFKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2S/c13-12(14,15)10-5-6-17(16-10)11-7-8-3-1-2-4-9(8)18-11/h1-7H.
What are the key properties of 1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole?
1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 268.26 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 175932777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).