1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide

C5H6F3N3O2S — CID 63822967

IUPAC1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)C(F)(F)F)n[nH]1
InChIInChI=1S/C5H6F3N3O2S/c1-3-2-4(10-9-3)11-14(12,13)5(6,7)8/h2H,1H3,(H2,9,10,11)
InChIKeyXPRMVTRJAHGJKL-UHFFFAOYSA-N
MW229.18 g/mol
LogP0.98
Rot. Bonds2

About 1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide

1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 63822967) has the molecular formula C5H6F3N3O2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID63822967
Molecular FormulaC5H6F3N3O2S
Molecular Weight229.18 g/mol
Exact Mass229.01
IUPAC Name1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)C(F)(F)F)n[nH]1
InChIInChI=1S/C5H6F3N3O2S/c1-3-2-4(10-9-3)11-14(12,13)5(6,7)8/h2H,1H3,(H2,9,10,11)
InChIKeyXPRMVTRJAHGJKL-UHFFFAOYSA-N
XLogP0.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide (CID 63822967) is 1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide is Cc1cc(NS(=O)(=O)C(F)(F)F)n[nH]1.
What is the InChIKey of 1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is XPRMVTRJAHGJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2S/c1-3-2-4(10-9-3)11-14(12,13)5(6,7)8/h2H,1H3,(H2,9,10,11).
What are the key properties of 1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 229.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 63822967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).