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

C9H7F3N2S — CID 116621382

IUPAC1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(Cc2ccsc2)n1
InChIInChI=1S/C9H7F3N2S/c10-9(11,12)8-1-3-14(13-8)5-7-2-4-15-6-7/h1-4,6H,5H2
InChIKeyYUHOCGMHQLFXHF-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.01
Rot. Bonds2

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

1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 116621382) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
PubChem CID116621382
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(Cc2ccsc2)n1
InChIInChI=1S/C9H7F3N2S/c10-9(11,12)8-1-3-14(13-8)5-7-2-4-15-6-7/h1-4,6H,5H2
InChIKeyYUHOCGMHQLFXHF-UHFFFAOYSA-N
XLogP3.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole (CID 116621382) is 1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(Cc2ccsc2)n1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is YUHOCGMHQLFXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c10-9(11,12)8-1-3-14(13-8)5-7-2-4-15-6-7/h1-4,6H,5H2.
What are the key properties of 1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 232.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 116621382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).