N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide

C6H6F3N3O2S — CID 141044663

IUPACN-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1[nH]ncc1S(=O)C(F)(F)F
InChIInChI=1S/C6H6F3N3O2S/c1-3(13)11-5-4(2-10-12-5)15(14)6(7,8)9/h2H,1H3,(H2,10,11,12,13)
InChIKeyCZNIBVNTZVCRQB-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.00
Rot. Bonds2

About N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide

N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide (PubChem CID 141044663) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide
PubChem CID141044663
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC NameN-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1[nH]ncc1S(=O)C(F)(F)F
InChIInChI=1S/C6H6F3N3O2S/c1-3(13)11-5-4(2-10-12-5)15(14)6(7,8)9/h2H,1H3,(H2,10,11,12,13)
InChIKeyCZNIBVNTZVCRQB-UHFFFAOYSA-N
XLogP1.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide?
The IUPAC name of N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide (CID 141044663) is N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide?
The canonical SMILES for N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide is CC(=O)Nc1[nH]ncc1S(=O)C(F)(F)F.
What is the InChIKey of N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide?
The InChIKey is CZNIBVNTZVCRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c1-3(13)11-5-4(2-10-12-5)15(14)6(7,8)9/h2H,1H3,(H2,10,11,12,13).
What are the key properties of N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide?
N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide has a molecular weight of 241.19 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide is sourced from PubChem (CID 141044663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).