1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole

C11H11F3N2S — CID 90956653

IUPAC1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C)c(-n2cc(C)c(C(F)(F)F)n2)s1
InChIInChI=1S/C11H11F3N2S/c1-6-4-8(3)17-10(6)16-5-7(2)9(15-16)11(12,13)14/h4-5H,1-3H3
InChIKeyVMWINZFRAPPMRZ-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.88
Rot. Bonds1

About 1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole

1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 90956653) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole
PubChem CID90956653
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C)c(-n2cc(C)c(C(F)(F)F)n2)s1
InChIInChI=1S/C11H11F3N2S/c1-6-4-8(3)17-10(6)16-5-7(2)9(15-16)11(12,13)14/h4-5H,1-3H3
InChIKeyVMWINZFRAPPMRZ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole (CID 90956653) is 1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole is Cc1cc(C)c(-n2cc(C)c(C(F)(F)F)n2)s1.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is VMWINZFRAPPMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-6-4-8(3)17-10(6)16-5-7(2)9(15-16)11(12,13)14/h4-5H,1-3H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole?
1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 260.28 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90956653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).