1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole

C12H13F3N2S — CID 21051085

IUPAC1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
SMILESCC(C)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C12H13F3N2S/c1-7(2)9-4-5-10(18-9)8-6-11(12(13,14)15)17(3)16-8/h4-7H,1-3H3
InChIKeyOSWCAPLYSQPZDS-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.29
Rot. Bonds2

About 1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole

1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole (PubChem CID 21051085) has the molecular formula C12H13F3N2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
PubChem CID21051085
Molecular FormulaC12H13F3N2S
Molecular Weight274.31 g/mol
Exact Mass274.08
IUPAC Name1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
SMILESCC(C)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C12H13F3N2S/c1-7(2)9-4-5-10(18-9)8-6-11(12(13,14)15)17(3)16-8/h4-7H,1-3H3
InChIKeyOSWCAPLYSQPZDS-UHFFFAOYSA-N
XLogP4.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole (CID 21051085) is 1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole is CC(C)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.
What is the InChIKey of 1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole?
The InChIKey is OSWCAPLYSQPZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2S/c1-7(2)9-4-5-10(18-9)8-6-11(12(13,14)15)17(3)16-8/h4-7H,1-3H3.
What are the key properties of 1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole?
1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole has a molecular weight of 274.31 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 21051085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).