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

C13H15F3N2S — CID 22087725

IUPAC1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
SMILESCC(C)Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C13H15F3N2S/c1-8(2)6-9-4-5-11(19-9)10-7-12(13(14,15)16)18(3)17-10/h4-5,7-8H,6H2,1-3H3
InChIKeyKYPYSTOCJQJSMR-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.37
Rot. Bonds3

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

1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole (PubChem CID 22087725) has the molecular formula C13H15F3N2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
PubChem CID22087725
Molecular FormulaC13H15F3N2S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
SMILESCC(C)Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C13H15F3N2S/c1-8(2)6-9-4-5-11(19-9)10-7-12(13(14,15)16)18(3)17-10/h4-5,7-8H,6H2,1-3H3
InChIKeyKYPYSTOCJQJSMR-UHFFFAOYSA-N
XLogP4.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.37
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-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole (CID 22087725) is 1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole is CC(C)Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.
What is the InChIKey of 1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole?
The InChIKey is KYPYSTOCJQJSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S/c1-8(2)6-9-4-5-11(19-9)10-7-12(13(14,15)16)18(3)17-10/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole?
1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole has a molecular weight of 288.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 22087725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).