4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole

C10H8F6N4O2S — CID 2795926

IUPAC4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole
SMILESCc1cn(S(=O)(=O)c2cn(C)nc2C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C10H8F6N4O2S/c1-5-3-20(18-7(5)9(11,12)13)23(21,22)6-4-19(2)17-8(6)10(14,15)16/h3-4H,1-2H3
InChIKeyGSIWVELEGRTHQL-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.20
Rot. Bonds2

About 4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole

4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole (PubChem CID 2795926) has the molecular formula C10H8F6N4O2S and a molecular weight of 362.26 g/mol. Its IUPAC name is 4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole
PubChem CID2795926
Molecular FormulaC10H8F6N4O2S
Molecular Weight362.26 g/mol
Exact Mass362.03
IUPAC Name4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole
SMILESCc1cn(S(=O)(=O)c2cn(C)nc2C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C10H8F6N4O2S/c1-5-3-20(18-7(5)9(11,12)13)23(21,22)6-4-19(2)17-8(6)10(14,15)16/h3-4H,1-2H3
InChIKeyGSIWVELEGRTHQL-UHFFFAOYSA-N
XLogP2.20
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole (CID 2795926) is 4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole is Cc1cn(S(=O)(=O)c2cn(C)nc2C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole?
The InChIKey is GSIWVELEGRTHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N4O2S/c1-5-3-20(18-7(5)9(11,12)13)23(21,22)6-4-19(2)17-8(6)10(14,15)16/h3-4H,1-2H3.
What are the key properties of 4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole?
4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole has a molecular weight of 362.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2795926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).