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

C11H10F3N3OS — CID 71808003

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1ccsc1
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)9-1-4-17(16-9)5-3-15-10(18)8-2-6-19-7-8/h1-2,4,6-7H,3,5H2,(H,15,18)
InChIKeyBJJCELZIZDQAOB-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.39
Rot. Bonds4

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

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide (PubChem CID 71808003) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide
PubChem CID71808003
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1ccsc1
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)9-1-4-17(16-9)5-3-15-10(18)8-2-6-19-7-8/h1-2,4,6-7H,3,5H2,(H,15,18)
InChIKeyBJJCELZIZDQAOB-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide (CID 71808003) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide is O=C(NCCn1ccc(C(F)(F)F)n1)c1ccsc1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is BJJCELZIZDQAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c12-11(13,14)9-1-4-17(16-9)5-3-15-10(18)8-2-6-19-7-8/h1-2,4,6-7H,3,5H2,(H,15,18).
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 289.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 71808003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).