4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole

C11H11F3N2S — CID 67533833

IUPAC4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole
SMILESCCc1csc(Cc2cn[nH]c2C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2S/c1-2-7-3-9(17-6-7)4-8-5-15-16-10(8)11(12,13)14/h3,5-6H,2,4H2,1H3,(H,15,16)
InChIKeyODLWPMFMDWPUAN-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.64
Rot. Bonds3

About 4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole

4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 67533833) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole
PubChem CID67533833
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole
SMILESCCc1csc(Cc2cn[nH]c2C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2S/c1-2-7-3-9(17-6-7)4-8-5-15-16-10(8)11(12,13)14/h3,5-6H,2,4H2,1H3,(H,15,16)
InChIKeyODLWPMFMDWPUAN-UHFFFAOYSA-N
XLogP3.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole (CID 67533833) is 4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole is CCc1csc(Cc2cn[nH]c2C(F)(F)F)c1.
What is the InChIKey of 4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ODLWPMFMDWPUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-2-7-3-9(17-6-7)4-8-5-15-16-10(8)11(12,13)14/h3,5-6H,2,4H2,1H3,(H,15,16).
What are the key properties of 4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole?
4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 260.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 67533833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).