5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole

C11H11F3N2S — CID 58458825

IUPAC5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C)c(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C11H11F3N2S/c1-6-4-7(2)17-10(6)8-5-9(11(12,13)14)15-16(8)3/h4-5H,1-3H3
InChIKeyFYPHGNDCQLACNB-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.78
Rot. Bonds1

About 5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole

5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 58458825) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID58458825
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C)c(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C11H11F3N2S/c1-6-4-7(2)17-10(6)8-5-9(11(12,13)14)15-16(8)3/h4-5H,1-3H3
InChIKeyFYPHGNDCQLACNB-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 58458825) is 5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole is Cc1cc(C)c(-c2cc(C(F)(F)F)nn2C)s1.
What is the InChIKey of 5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is FYPHGNDCQLACNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-6-4-7(2)17-10(6)8-5-9(11(12,13)14)15-16(8)3/h4-5H,1-3H3.
What are the key properties of 5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 260.28 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 58458825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).