1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide

C7H10F3N3O2S — CID 114827606

IUPAC1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide
SMILESCc1c(C(C(F)(F)F)S(N)(=O)=O)cnn1C
InChIInChI=1S/C7H10F3N3O2S/c1-4-5(3-12-13(4)2)6(7(8,9)10)16(11,14)15/h3,6H,1-2H3,(H2,11,14,15)
InChIKeyGCIAWYLLIGWXAM-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.62
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide

1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 114827606) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide
PubChem CID114827606
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide
SMILESCc1c(C(C(F)(F)F)S(N)(=O)=O)cnn1C
InChIInChI=1S/C7H10F3N3O2S/c1-4-5(3-12-13(4)2)6(7(8,9)10)16(11,14)15/h3,6H,1-2H3,(H2,11,14,15)
InChIKeyGCIAWYLLIGWXAM-UHFFFAOYSA-N
XLogP0.62
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide (CID 114827606) is 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide is Cc1c(C(C(F)(F)F)S(N)(=O)=O)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is GCIAWYLLIGWXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c1-4-5(3-12-13(4)2)6(7(8,9)10)16(11,14)15/h3,6H,1-2H3,(H2,11,14,15).
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide?
1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 257.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 114827606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).