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

C7H8F3N3OS — CID 51078937

IUPACN-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCn1cc(NC(=O)CSC(F)(F)F)cn1
InChIInChI=1S/C7H8F3N3OS/c1-13-3-5(2-11-13)12-6(14)4-15-7(8,9)10/h2-3H,4H2,1H3,(H,12,14)
InChIKeyIXMBFCCUHWFGTB-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.61
Rot. Bonds3

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

N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 51078937) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID51078937
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC NameN-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCn1cc(NC(=O)CSC(F)(F)F)cn1
InChIInChI=1S/C7H8F3N3OS/c1-13-3-5(2-11-13)12-6(14)4-15-7(8,9)10/h2-3H,4H2,1H3,(H,12,14)
InChIKeyIXMBFCCUHWFGTB-UHFFFAOYSA-N
XLogP1.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-3-sulfanylpropanamide
CID 177680898
2-(2-methoxyethylsulfanyl)-N-(1-methylpyrazol-4-yl)acetamide
CID 45814918
2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 71875451
N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide
CID 71994323
2-(4-Amino-1h-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43445368
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 60323862
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 60323983
2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide
CID 62646800
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741388
1-[3-Chloro-4-(ethylamino)pyrazol-1-yl]-3-(3,3,3-trifluoropropylsulfanyl)propan-1-one
CID 118021777
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]but-2-ynamide
CID 129212826
N-[1-(difluoromethyl)pyrazol-4-yl]acetamide
CID 131112342

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide (CID 51078937) is N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide is Cn1cc(NC(=O)CSC(F)(F)F)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is IXMBFCCUHWFGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c1-13-3-5(2-11-13)12-6(14)4-15-7(8,9)10/h2-3H,4H2,1H3,(H,12,14).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 239.22 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 51078937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).