1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole

C14H9F3N2S — CID 2804164

IUPAC1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C14H9F3N2S/c15-14(16,17)13-9-11(12-7-4-8-20-12)19(18-13)10-5-2-1-3-6-10/h1-9H
InChIKeyOTOTYKXIIUSIST-UHFFFAOYSA-N
MW294.30 g/mol
LogP4.62
Rot. Bonds2

About 1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole

1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 2804164) has the molecular formula C14H9F3N2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID2804164
Molecular FormulaC14H9F3N2S
Molecular Weight294.30 g/mol
Exact Mass294.04
IUPAC Name1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C14H9F3N2S/c15-14(16,17)13-9-11(12-7-4-8-20-12)19(18-13)10-5-2-1-3-6-10/h1-9H
InChIKeyOTOTYKXIIUSIST-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 1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (CID 2804164) is 1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2cccs2)n(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is OTOTYKXIIUSIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2S/c15-14(16,17)13-9-11(12-7-4-8-20-12)19(18-13)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)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 1-phenyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2804164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).