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

C8H5F3N2S — CID 612732

IUPAC3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13)
InChIKeyRAQSZNBGFKBCNQ-UHFFFAOYSA-N
MW218.20 g/mol
LogP3.16
Rot. Bonds1

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

3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 612732) has the molecular formula C8H5F3N2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID612732
Molecular FormulaC8H5F3N2S
Molecular Weight218.20 g/mol
Exact Mass218.01
IUPAC Name3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13)
InChIKeyRAQSZNBGFKBCNQ-UHFFFAOYSA-N
XLogP3.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Terevalefim
CID 5714038
3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 523184
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CID 340711
3-Methyl-5-(2-thienyl)-1h-pyrazole
CID 737750
2-(3-(Thiophen-2-YL)-1H-pyrazol-5-YL)aniline
CID 10514262
3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole
CID 5260620
5-(Thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155896415
4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole
CID 162643219
3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
CID 162666140
3-[(E)-2-(thiophen-2-yl)ethenyl]-5-(trifluoromethyl)-1H-pyrazole
CID 5920005
5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole
CID 2739854
5-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2H-tetrazole
CID 44401911

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole (CID 612732) is 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(-c2cccs2)n[nH]1.
What is the InChIKey of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is RAQSZNBGFKBCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13).
What are the key properties of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 218.20 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 612732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).