N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C11H16F3N3OS — CID 47042769

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCSC(F)(F)F
InChIInChI=1S/C11H16F3N3OS/c1-7-9(8(2)17(3)16-7)6-10(18)15-4-5-19-11(12,13)14/h4-6H2,1-3H3,(H,15,18)
InChIKeyUNVCRRYNZGTQAT-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.95
Rot. Bonds5

About N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 47042769) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID47042769
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCSC(F)(F)F
InChIInChI=1S/C11H16F3N3OS/c1-7-9(8(2)17(3)16-7)6-10(18)15-4-5-19-11(12,13)14/h4-6H2,1-3H3,(H,15,18)
InChIKeyUNVCRRYNZGTQAT-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47021107
1-Thiomorpholin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 45828456
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 49670390
4,4,4-trifluoro-N-(2-sulfanylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 177679964
2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19282266
2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide
CID 19282271
N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062541
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062543
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062545
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062546

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 47042769) is N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCCSC(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is UNVCRRYNZGTQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-7-9(8(2)17(3)16-7)6-10(18)15-4-5-19-11(12,13)14/h4-6H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 295.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47042769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).