N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C18H16F3N3OS — CID 86266392

IUPACN-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C18H16F3N3OS/c19-18(20,21)15-3-1-13(2-4-15)11-17(25)22-7-9-24-8-5-16(23-24)14-6-10-26-12-14/h1-6,8,10,12H,7,9,11H2,(H,22,25)
InChIKeyFZOCAFBUVIEKHA-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.99
Rot. Bonds6

About N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 86266392) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID86266392
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C18H16F3N3OS/c19-18(20,21)15-3-1-13(2-4-15)11-17(25)22-7-9-24-8-5-16(23-24)14-6-10-26-12-14/h1-6,8,10,12H,7,9,11H2,(H,22,25)
InChIKeyFZOCAFBUVIEKHA-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 86266392) is N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FZOCAFBUVIEKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c19-18(20,21)15-3-1-13(2-4-15)11-17(25)22-7-9-24-8-5-16(23-24)14-6-10-26-12-14/h1-6,8,10,12H,7,9,11H2,(H,22,25).
What are the key properties of N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 379.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 86266392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).