1-thiophen-3-yl-3-(trifluoromethyl)pyrazole

C8H5F3N2S — CID 90985717

IUPAC1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2ccsc2)n1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)7-1-3-13(12-7)6-2-4-14-5-6/h1-5H
InChIKeyDXROXFUJBZVGQR-UHFFFAOYSA-N
MW218.20 g/mol
LogP2.95
Rot. Bonds1

About 1-thiophen-3-yl-3-(trifluoromethyl)pyrazole

1-thiophen-3-yl-3-(trifluoromethyl)pyrazole (PubChem CID 90985717) has the molecular formula C8H5F3N2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 1-thiophen-3-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
PubChem CID90985717
Molecular FormulaC8H5F3N2S
Molecular Weight218.20 g/mol
Exact Mass218.01
IUPAC Name1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2ccsc2)n1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)7-1-3-13(12-7)6-2-4-14-5-6/h1-5H
InChIKeyDXROXFUJBZVGQR-UHFFFAOYSA-N
XLogP2.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-thiophen-3-yl-3-(trifluoromethyl)pyrazole (CID 90985717) is 1-thiophen-3-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-thiophen-3-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-thiophen-3-yl-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(-c2ccsc2)n1.
What is the InChIKey of 1-thiophen-3-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is DXROXFUJBZVGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S/c9-8(10,11)7-1-3-13(12-7)6-2-4-14-5-6/h1-5H.
What are the key properties of 1-thiophen-3-yl-3-(trifluoromethyl)pyrazole?
1-thiophen-3-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 218.20 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90985717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).