N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide

C6H6F3N3OS — CID 38016277

IUPACN-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C6H6F3N3OS/c7-6(8,9)14-3-5(13)12-4-1-10-11-2-4/h1-2H,3H2,(H,10,11)(H,12,13)
InChIKeyXDRHGRNQMAPMMJ-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.60
Rot. Bonds3

About N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide

N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 38016277) has the molecular formula C6H6F3N3OS and a molecular weight of 225.19 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID38016277
Molecular FormulaC6H6F3N3OS
Molecular Weight225.19 g/mol
Exact Mass225.02
IUPAC NameN-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C6H6F3N3OS/c7-6(8,9)14-3-5(13)12-4-1-10-11-2-4/h1-2H,3H2,(H,10,11)(H,12,13)
InChIKeyXDRHGRNQMAPMMJ-UHFFFAOYSA-N
XLogP1.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
N-(3-chloro-1H-pyrazol-4-yl)-3-((3,3,3-trifluoropropyl)thio)propanamide
CID 91754505
(2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016283
(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016288
3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
CID 43430688
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 45816287
4,4,4-trifluoro-N-(1H-pyrazol-4-yl)butanamide
CID 65711581
N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924535
2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 79796623
2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide
CID 103514029

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide (CID 38016277) is N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)Nc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is XDRHGRNQMAPMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3OS/c7-6(8,9)14-3-5(13)12-4-1-10-11-2-4/h1-2H,3H2,(H,10,11)(H,12,13).
What are the key properties of N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide?
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 225.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 38016277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).