1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride

C7H8ClF3N2O2S — CID 114827523

IUPAC1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride
SMILESCc1c(C(C(F)(F)F)S(=O)(=O)Cl)cnn1C
InChIInChI=1S/C7H8ClF3N2O2S/c1-4-5(3-12-13(4)2)6(7(9,10)11)16(8,14)15/h3,6H,1-2H3
InChIKeyALRHLILEYOFGOO-UHFFFAOYSA-N
MW276.67 g/mol
LogP1.90
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride

1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride (PubChem CID 114827523) has the molecular formula C7H8ClF3N2O2S and a molecular weight of 276.67 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride
PubChem CID114827523
Molecular FormulaC7H8ClF3N2O2S
Molecular Weight276.67 g/mol
Exact Mass275.99
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride
SMILESCc1c(C(C(F)(F)F)S(=O)(=O)Cl)cnn1C
InChIInChI=1S/C7H8ClF3N2O2S/c1-4-5(3-12-13(4)2)6(7(9,10)11)16(8,14)15/h3,6H,1-2H3
InChIKeyALRHLILEYOFGOO-UHFFFAOYSA-N
XLogP1.90
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 51.90
H-Bond Donors ≤ 50
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-trifluoroethanesulfonyl chloride?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride (CID 114827523) is 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride is Cc1c(C(C(F)(F)F)S(=O)(=O)Cl)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride?
The InChIKey is ALRHLILEYOFGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O2S/c1-4-5(3-12-13(4)2)6(7(9,10)11)16(8,14)15/h3,6H,1-2H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride?
1-(1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride has a molecular weight of 276.67 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 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-trifluoroethanesulfonyl chloride is sourced from PubChem (CID 114827523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).