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

C14H9F3N2S — CID 135064284

IUPAC3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(-n2ccc(-c3ccsc3)n2)cc1
InChIInChI=1S/C14H9F3N2S/c15-14(16,17)11-1-3-12(4-2-11)19-7-5-13(18-19)10-6-8-20-9-10/h1-9H
InChIKeyJUBKBBPEYCWSHN-UHFFFAOYSA-N
MW294.30 g/mol
LogP4.62
Rot. Bonds2

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

3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 135064284) has the molecular formula C14H9F3N2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID135064284
Molecular FormulaC14H9F3N2S
Molecular Weight294.30 g/mol
Exact Mass294.04
IUPAC Name3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(-n2ccc(-c3ccsc3)n2)cc1
InChIInChI=1S/C14H9F3N2S/c15-14(16,17)11-1-3-12(4-2-11)19-7-5-13(18-19)10-6-8-20-9-10/h1-9H
InChIKeyJUBKBBPEYCWSHN-UHFFFAOYSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 135064284) is 3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1ccc(-n2ccc(-c3ccsc3)n2)cc1.
What is the InChIKey of 3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is JUBKBBPEYCWSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2S/c15-14(16,17)11-1-3-12(4-2-11)19-7-5-13(18-19)10-6-8-20-9-10/h1-9H.
What are the key properties of 3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole?
3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 294.30 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 135064284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).