1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole

C10H9F3N2S — CID 116621313

IUPAC1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CCc2ccsc2)n1
InChIInChI=1S/C10H9F3N2S/c11-10(12,13)9-2-5-15(14-9)4-1-8-3-6-16-7-8/h2-3,5-7H,1,4H2
InChIKeyAKAFQCYPTRYMQT-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.21
Rot. Bonds3

About 1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole

1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 116621313) has the molecular formula C10H9F3N2S and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole
PubChem CID116621313
Molecular FormulaC10H9F3N2S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CCc2ccsc2)n1
InChIInChI=1S/C10H9F3N2S/c11-10(12,13)9-2-5-15(14-9)4-1-8-3-6-16-7-8/h2-3,5-7H,1,4H2
InChIKeyAKAFQCYPTRYMQT-UHFFFAOYSA-N
XLogP3.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 135064284
N-cyclopentyl-2-(thiophen-3-yl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)acetamide
CID 119103017
(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine
CID 124848303
1-Methyl-3-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazole
CID 59596806
5-(5-Ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazole
CID 68188505
1-Methyl-5-[2-(trifluoromethyl)thiophen-3-yl]pyrazole
CID 68348941
1-Methyl-5-thiophen-3-yl-4-(trifluoromethyl)pyrazole
CID 68349016
1-(3,5-Dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole
CID 90956653
4-Methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
CID 91321982
1-Methyl-3-thiophen-3-yl-5-(trifluoromethyl)pyrazole
CID 91605155
1-Methyl-4-[[2-(4-methylpentan-2-yl)thiophen-3-yl]methyl]-3-(trifluoromethyl)pyrazole
CID 123406869
1-(2-Phenylethyl)-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 141085056

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole (CID 116621313) is 1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(CCc2ccsc2)n1.
What is the InChIKey of 1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is AKAFQCYPTRYMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S/c11-10(12,13)9-2-5-15(14-9)4-1-8-3-6-16-7-8/h2-3,5-7H,1,4H2.
What are the key properties of 1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole?
1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 246.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 116621313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).