1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride

C8H10ClF3N2O2S — CID 114827484

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride
SMILESCCc1nn(C)cc1C(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C8H10ClF3N2O2S/c1-3-6-5(4-14(2)13-6)7(8(10,11)12)17(9,15)16/h4,7H,3H2,1-2H3
InChIKeyZSCDGEYSPPAPRG-UHFFFAOYSA-N
MW290.69 g/mol
LogP2.15
Rot. Bonds3

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride

1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride (PubChem CID 114827484) has the molecular formula C8H10ClF3N2O2S and a molecular weight of 290.69 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride
PubChem CID114827484
Molecular FormulaC8H10ClF3N2O2S
Molecular Weight290.69 g/mol
Exact Mass290.01
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride
SMILESCCc1nn(C)cc1C(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C8H10ClF3N2O2S/c1-3-6-5(4-14(2)13-6)7(8(10,11)12)17(9,15)16/h4,7H,3H2,1-2H3
InChIKeyZSCDGEYSPPAPRG-UHFFFAOYSA-N
XLogP2.15
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.69
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride (CID 114827484) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride is CCc1nn(C)cc1C(C(F)(F)F)S(=O)(=O)Cl.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride?
The InChIKey is ZSCDGEYSPPAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O2S/c1-3-6-5(4-14(2)13-6)7(8(10,11)12)17(9,15)16/h4,7H,3H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride?
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride has a molecular weight of 290.69 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride is sourced from PubChem (CID 114827484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).