N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide

C12H10F3N3OS — CID 71884779

IUPACN-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)20-8-11(19)17-9-6-16-18(7-9)10-4-2-1-3-5-10/h1-7H,8H2,(H,17,19)
InChIKeyASEBQXFYXHYQQE-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.06
Rot. Bonds4

About N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide

N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 71884779) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID71884779
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC NameN-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)20-8-11(19)17-9-6-16-18(7-9)10-4-2-1-3-5-10/h1-7H,8H2,(H,17,19)
InChIKeyASEBQXFYXHYQQE-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide (CID 71884779) is N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)Nc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is ASEBQXFYXHYQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c13-12(14,15)20-8-11(19)17-9-6-16-18(7-9)10-4-2-1-3-5-10/h1-7H,8H2,(H,17,19).
What are the key properties of N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 301.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 71884779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).