3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole

C14H13F3N4O2S2 — CID 2820449

IUPAC3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)n1
InChIInChI=1S/C14H13F3N4O2S2/c1-8-6-9(2)21(18-8)25(22,23)13-5-4-11(24-13)10-7-12(14(15,16)17)20(3)19-10/h4-7H,1-3H3
InChIKeyUAUUOGHAUMVWMS-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.22
Rot. Bonds3

About 3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole

3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole (PubChem CID 2820449) has the molecular formula C14H13F3N4O2S2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole
PubChem CID2820449
Molecular FormulaC14H13F3N4O2S2
Molecular Weight390.41 g/mol
Exact Mass390.04
IUPAC Name3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)n1
InChIInChI=1S/C14H13F3N4O2S2/c1-8-6-9(2)21(18-8)25(22,23)13-5-4-11(24-13)10-7-12(14(15,16)17)20(3)19-10/h4-7H,1-3H3
InChIKeyUAUUOGHAUMVWMS-UHFFFAOYSA-N
XLogP3.22
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole?
The IUPAC name of 3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole (CID 2820449) is 3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole is Cc1cc(C)n(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)n1.
What is the InChIKey of 3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole?
The InChIKey is UAUUOGHAUMVWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S2/c1-8-6-9(2)21(18-8)25(22,23)13-5-4-11(24-13)10-7-12(14(15,16)17)20(3)19-10/h4-7H,1-3H3.
What are the key properties of 3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole?
3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole has a molecular weight of 390.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole is sourced from PubChem (CID 2820449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).