1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole

C12H9F5N2 — CID 70791479

IUPAC1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1-c1c(F)cccc1F
InChIInChI=1S/C12H9F5N2/c1-2-7-6-10(12(15,16)17)18-19(7)11-8(13)4-3-5-9(11)14/h3-6H,2H2,1H3
InChIKeyZKQBLWPFAFVHGZ-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.73
Rot. Bonds2

About 1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole

1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole (PubChem CID 70791479) has the molecular formula C12H9F5N2 and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole
PubChem CID70791479
Molecular FormulaC12H9F5N2
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1-c1c(F)cccc1F
InChIInChI=1S/C12H9F5N2/c1-2-7-6-10(12(15,16)17)18-19(7)11-8(13)4-3-5-9(11)14/h3-6H,2H2,1H3
InChIKeyZKQBLWPFAFVHGZ-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole (CID 70791479) is 1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole is CCc1cc(C(F)(F)F)nn1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is ZKQBLWPFAFVHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5N2/c1-2-7-6-10(12(15,16)17)18-19(7)11-8(13)4-3-5-9(11)14/h3-6H,2H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole?
1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 276.21 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70791479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).