3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole

C11H10F4N2S — CID 68972413

IUPAC3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(CCF)s2)cc1C(F)(F)F
InChIInChI=1S/C11H10F4N2S/c1-17-10(11(13,14)15)6-8(16-17)9-3-2-7(18-9)4-5-12/h2-3,6H,4-5H2,1H3
InChIKeyFBHQLVGIYCQVAM-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.68
Rot. Bonds3

About 3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole

3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 68972413) has the molecular formula C11H10F4N2S and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID68972413
Molecular FormulaC11H10F4N2S
Molecular Weight278.27 g/mol
Exact Mass278.05
IUPAC Name3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(CCF)s2)cc1C(F)(F)F
InChIInChI=1S/C11H10F4N2S/c1-17-10(11(13,14)15)6-8(16-17)9-3-2-7(18-9)4-5-12/h2-3,6H,4-5H2,1H3
InChIKeyFBHQLVGIYCQVAM-UHFFFAOYSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole (CID 68972413) is 3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(-c2ccc(CCF)s2)cc1C(F)(F)F.
What is the InChIKey of 3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is FBHQLVGIYCQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2S/c1-17-10(11(13,14)15)6-8(16-17)9-3-2-7(18-9)4-5-12/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 278.27 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 68972413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).