1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole

C13H13F3N2 — CID 102454558

IUPAC1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole
SMILESCc1cc(C)c(-c2ccnn2C(F)(F)F)c(C)c1
InChIInChI=1S/C13H13F3N2/c1-8-6-9(2)12(10(3)7-8)11-4-5-17-18(11)13(14,15)16/h4-7H,1-3H3
InChIKeyCUASSASIAXFGTG-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.95
Rot. Bonds1

About 1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole

1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole (PubChem CID 102454558) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole.

Molecular Properties

Compound Name1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole
PubChem CID102454558
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole
SMILESCc1cc(C)c(-c2ccnn2C(F)(F)F)c(C)c1
InChIInChI=1S/C13H13F3N2/c1-8-6-9(2)12(10(3)7-8)11-4-5-17-18(11)13(14,15)16/h4-7H,1-3H3
InChIKeyCUASSASIAXFGTG-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole?
The IUPAC name of 1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole (CID 102454558) is 1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole.
What is the SMILES notation for 1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole?
The canonical SMILES for 1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole is Cc1cc(C)c(-c2ccnn2C(F)(F)F)c(C)c1.
What is the InChIKey of 1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole?
The InChIKey is CUASSASIAXFGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-8-6-9(2)12(10(3)7-8)11-4-5-17-18(11)13(14,15)16/h4-7H,1-3H3.
What are the key properties of 1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole?
1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole has a molecular weight of 254.25 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)pyrazole is sourced from PubChem (CID 102454558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).