5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide

C12H12F3N3OS — CID 19617263

IUPAC5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)cs1
InChIInChI=1S/C12H12F3N3OS/c1-2-10-3-8(6-20-10)11(19)17-9-4-16-18(5-9)7-12(13,14)15/h3-6H,2,7H2,1H3,(H,17,19)
InChIKeyDARAMCWISBNYSQ-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.32
Rot. Bonds4

About 5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide

5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide (PubChem CID 19617263) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is 5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide
PubChem CID19617263
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)cs1
InChIInChI=1S/C12H12F3N3OS/c1-2-10-3-8(6-20-10)11(19)17-9-4-16-18(5-9)7-12(13,14)15/h3-6H,2,7H2,1H3,(H,17,19)
InChIKeyDARAMCWISBNYSQ-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide (CID 19617263) is 5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide is CCc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)cs1.
What is the InChIKey of 5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide?
The InChIKey is DARAMCWISBNYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-2-10-3-8(6-20-10)11(19)17-9-4-16-18(5-9)7-12(13,14)15/h3-6H,2,7H2,1H3,(H,17,19).
What are the key properties of 5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide?
5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide has a molecular weight of 303.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 19617263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).