5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide

C11H9ClF3N3OS — CID 71808014

IUPAC5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(Cl)s1
InChIInChI=1S/C11H9ClF3N3OS/c12-9-2-1-7(20-9)10(19)16-4-6-18-5-3-8(17-18)11(13,14)15/h1-3,5H,4,6H2,(H,16,19)
InChIKeyJJFDYNNAUBZOKN-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.05
Rot. Bonds4

About 5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide

5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 71808014) has the molecular formula C11H9ClF3N3OS and a molecular weight of 323.73 g/mol. Its IUPAC name is 5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID71808014
Molecular FormulaC11H9ClF3N3OS
Molecular Weight323.73 g/mol
Exact Mass323.01
IUPAC Name5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(Cl)s1
InChIInChI=1S/C11H9ClF3N3OS/c12-9-2-1-7(20-9)10(19)16-4-6-18-5-3-8(17-18)11(13,14)15/h1-3,5H,4,6H2,(H,16,19)
InChIKeyJJFDYNNAUBZOKN-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide (CID 71808014) is 5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide is O=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is JJFDYNNAUBZOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3OS/c12-9-2-1-7(20-9)10(19)16-4-6-18-5-3-8(17-18)11(13,14)15/h1-3,5H,4,6H2,(H,16,19).
What are the key properties of 5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 323.73 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71808014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).