5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole

C9H4F6N2S — CID 140579512

IUPAC5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2cccs2)n(C(F)(F)F)n1
InChIInChI=1S/C9H4F6N2S/c10-8(11,12)7-4-5(6-2-1-3-18-6)17(16-7)9(13,14)15/h1-4H
InChIKeyOTFUYKIVOYYLDO-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.11
Rot. Bonds1

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

5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole (PubChem CID 140579512) has the molecular formula C9H4F6N2S and a molecular weight of 286.20 g/mol. Its IUPAC name is 5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole
PubChem CID140579512
Molecular FormulaC9H4F6N2S
Molecular Weight286.20 g/mol
Exact Mass286.00
IUPAC Name5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2cccs2)n(C(F)(F)F)n1
InChIInChI=1S/C9H4F6N2S/c10-8(11,12)7-4-5(6-2-1-3-18-6)17(16-7)9(13,14)15/h1-4H
InChIKeyOTFUYKIVOYYLDO-UHFFFAOYSA-N
XLogP4.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 69087337
1-(3,5-dimethylphenyl)-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 2811557
1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole
CID 122660577
N-(3-methylphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 18832586
N-(2,5-dichlorophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 18832575
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 18832604
N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 18832519
(5-methyl-2-propan-2-ylphenyl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 18832654
1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 116861982
3-tert-butyl-5-phenyl-1-(trifluoromethyl)pyrazole
CID 140579501
2-methylpropyl 4-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]benzoate
CID 18832603
7-(3-thiophen-2-ylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
CID 10269117

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole?
The IUPAC name of 5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole (CID 140579512) is 5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole?
The canonical SMILES for 5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2cccs2)n(C(F)(F)F)n1.
What is the InChIKey of 5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole?
The InChIKey is OTFUYKIVOYYLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2S/c10-8(11,12)7-4-5(6-2-1-3-18-6)17(16-7)9(13,14)15/h1-4H.
What are the key properties of 5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole?
5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole has a molecular weight of 286.20 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole is sourced from PubChem (CID 140579512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).