1,5-diethyl-3-(trifluoromethyl)pyrazole

C8H11F3N2 — CID 88973141

IUPAC1,5-diethyl-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1CC
InChIInChI=1S/C8H11F3N2/c1-3-6-5-7(8(9,10)11)12-13(6)4-2/h5H,3-4H2,1-2H3
InChIKeyOHPHVJUUQVZVHF-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.48
Rot. Bonds2

About 1,5-diethyl-3-(trifluoromethyl)pyrazole

1,5-diethyl-3-(trifluoromethyl)pyrazole (PubChem CID 88973141) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1,5-diethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,5-diethyl-3-(trifluoromethyl)pyrazole
PubChem CID88973141
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1,5-diethyl-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1CC
InChIInChI=1S/C8H11F3N2/c1-3-6-5-7(8(9,10)11)12-13(6)4-2/h5H,3-4H2,1-2H3
InChIKeyOHPHVJUUQVZVHF-UHFFFAOYSA-N
XLogP2.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1,5-diethyl-3-(trifluoromethyl)pyrazole (CID 88973141) is 1,5-diethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,5-diethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,5-diethyl-3-(trifluoromethyl)pyrazole is CCc1cc(C(F)(F)F)nn1CC.
What is the InChIKey of 1,5-diethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is OHPHVJUUQVZVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-6-5-7(8(9,10)11)12-13(6)4-2/h5H,3-4H2,1-2H3.
What are the key properties of 1,5-diethyl-3-(trifluoromethyl)pyrazole?
1,5-diethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 88973141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).