4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole

C13H15F3N2S — CID 67533466

IUPAC4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)c1csc(C(C)c2cn[nH]c2C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2S/c1-7(2)9-4-11(19-6-9)8(3)10-5-17-18-12(10)13(14,15)16/h4-8H,1-3H3,(H,17,18)
InChIKeyVCTIUDFMRJSKBD-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.77
Rot. Bonds3

About 4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole

4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 67533466) has the molecular formula C13H15F3N2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
PubChem CID67533466
Molecular FormulaC13H15F3N2S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)c1csc(C(C)c2cn[nH]c2C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2S/c1-7(2)9-4-11(19-6-9)8(3)10-5-17-18-12(10)13(14,15)16/h4-8H,1-3H3,(H,17,18)
InChIKeyVCTIUDFMRJSKBD-UHFFFAOYSA-N
XLogP4.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole (CID 67533466) is 4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole is CC(C)c1csc(C(C)c2cn[nH]c2C(F)(F)F)c1.
What is the InChIKey of 4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is VCTIUDFMRJSKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S/c1-7(2)9-4-11(19-6-9)8(3)10-5-17-18-12(10)13(14,15)16/h4-8H,1-3H3,(H,17,18).
What are the key properties of 4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole?
4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 288.34 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 67533466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).