3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole

C7H9F3N2 — CID 126670977

IUPAC3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2/c1-2-6-3-4-12(11-6)5-7(8,9)10/h3-4H,2,5H2,1H3
InChIKeyKGTZZSIASFWYJB-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.01
Rot. Bonds2

About 3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole

3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 126670977) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID126670977
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2/c1-2-6-3-4-12(11-6)5-7(8,9)10/h3-4H,2,5H2,1H3
InChIKeyKGTZZSIASFWYJB-UHFFFAOYSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 126670977) is 3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole is CCc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is KGTZZSIASFWYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-2-6-3-4-12(11-6)5-7(8,9)10/h3-4H,2,5H2,1H3.
What are the key properties of 3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 178.16 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 126670977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).