N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide

C11H9F4N3OS — CID 138030714

IUPACN-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccn(CCF)n1)c1ccsc1C(F)(F)F
InChIInChI=1S/C11H9F4N3OS/c12-3-5-18-4-1-8(17-18)16-10(19)7-2-6-20-9(7)11(13,14)15/h1-2,4,6H,3,5H2,(H,16,17,19)
InChIKeyOJOYESLTGGSWDZ-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide

N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 138030714) has the molecular formula C11H9F4N3OS and a molecular weight of 307.27 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID138030714
Molecular FormulaC11H9F4N3OS
Molecular Weight307.27 g/mol
Exact Mass307.04
IUPAC NameN-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccn(CCF)n1)c1ccsc1C(F)(F)F
InChIInChI=1S/C11H9F4N3OS/c12-3-5-18-4-1-8(17-18)16-10(19)7-2-6-20-9(7)11(13,14)15/h1-2,4,6H,3,5H2,(H,16,17,19)
InChIKeyOJOYESLTGGSWDZ-UHFFFAOYSA-N
XLogP3.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide (CID 138030714) is N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide is O=C(Nc1ccn(CCF)n1)c1ccsc1C(F)(F)F.
What is the InChIKey of N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is OJOYESLTGGSWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3OS/c12-3-5-18-4-1-8(17-18)16-10(19)7-2-6-20-9(7)11(13,14)15/h1-2,4,6H,3,5H2,(H,16,17,19).
What are the key properties of N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide?
N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 307.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 138030714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).