N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide

C17H14F3N3O2S — CID 71808156

IUPACN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2S/c18-17(19,20)25-13-5-3-12(4-6-13)16(24)21-8-10-23-9-7-14(22-23)15-2-1-11-26-15/h1-7,9,11H,8,10H2,(H,21,24)
InChIKeyUJZDJSZPRGNRML-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide

N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 71808156) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID71808156
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2S/c18-17(19,20)25-13-5-3-12(4-6-13)16(24)21-8-10-23-9-7-14(22-23)15-2-1-11-26-15/h1-7,9,11H,8,10H2,(H,21,24)
InChIKeyUJZDJSZPRGNRML-UHFFFAOYSA-N
XLogP3.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide (CID 71808156) is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide is O=C(NCCn1ccc(-c2cccs2)n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is UJZDJSZPRGNRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c18-17(19,20)25-13-5-3-12(4-6-13)16(24)21-8-10-23-9-7-14(22-23)15-2-1-11-26-15/h1-7,9,11H,8,10H2,(H,21,24).
What are the key properties of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 381.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71808156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).