1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole

C13H11F3N4O2S2 — CID 2820328

IUPAC1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(-c3ccn(S(C)(=O)=O)n3)s2)cc1C(F)(F)F
InChIInChI=1S/C13H11F3N4O2S2/c1-19-12(13(14,15)16)7-9(17-19)11-4-3-10(23-11)8-5-6-20(18-8)24(2,21)22/h3-7H,1-2H3
InChIKeyOPMFNFJSUGBSEW-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.84
Rot. Bonds3

About 1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole

1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole (PubChem CID 2820328) has the molecular formula C13H11F3N4O2S2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
PubChem CID2820328
Molecular FormulaC13H11F3N4O2S2
Molecular Weight376.39 g/mol
Exact Mass376.03
IUPAC Name1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(-c3ccn(S(C)(=O)=O)n3)s2)cc1C(F)(F)F
InChIInChI=1S/C13H11F3N4O2S2/c1-19-12(13(14,15)16)7-9(17-19)11-4-3-10(23-11)8-5-6-20(18-8)24(2,21)22/h3-7H,1-2H3
InChIKeyOPMFNFJSUGBSEW-UHFFFAOYSA-N
XLogP2.84
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole (CID 2820328) is 1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole is Cn1nc(-c2ccc(-c3ccn(S(C)(=O)=O)n3)s2)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole?
The InChIKey is OPMFNFJSUGBSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2S2/c1-19-12(13(14,15)16)7-9(17-19)11-4-3-10(23-11)8-5-6-20(18-8)24(2,21)22/h3-7H,1-2H3.
What are the key properties of 1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole?
1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole has a molecular weight of 376.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2820328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).