5-ethyl-1-(trifluoromethyl)pyrazole

C6H7F3N2 — CID 67057005

IUPAC5-ethyl-1-(trifluoromethyl)pyrazole
SMILESCCc1ccnn1C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-2-5-3-4-10-11(5)6(7,8)9/h3-4H,2H2,1H3
InChIKeySTESHJRWLBNSID-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.92
Rot. Bonds1

About 5-ethyl-1-(trifluoromethyl)pyrazole

5-ethyl-1-(trifluoromethyl)pyrazole (PubChem CID 67057005) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 5-ethyl-1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-ethyl-1-(trifluoromethyl)pyrazole
PubChem CID67057005
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name5-ethyl-1-(trifluoromethyl)pyrazole
SMILESCCc1ccnn1C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-2-5-3-4-10-11(5)6(7,8)9/h3-4H,2H2,1H3
InChIKeySTESHJRWLBNSID-UHFFFAOYSA-N
XLogP1.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(trifluoromethyl)pyrazole?
The IUPAC name of 5-ethyl-1-(trifluoromethyl)pyrazole (CID 67057005) is 5-ethyl-1-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-ethyl-1-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-ethyl-1-(trifluoromethyl)pyrazole is CCc1ccnn1C(F)(F)F.
What is the InChIKey of 5-ethyl-1-(trifluoromethyl)pyrazole?
The InChIKey is STESHJRWLBNSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-2-5-3-4-10-11(5)6(7,8)9/h3-4H,2H2,1H3.
What are the key properties of 5-ethyl-1-(trifluoromethyl)pyrazole?
5-ethyl-1-(trifluoromethyl)pyrazole has a molecular weight of 164.13 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 67057005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).