3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole

C7H9F3N2O — CID 123649410

IUPAC3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole
SMILESCCc1cc(OC(F)(F)F)n(C)n1
InChIInChI=1S/C7H9F3N2O/c1-3-5-4-6(12(2)11-5)13-7(8,9)10/h4H,3H2,1-2H3
InChIKeyYKEQZXGNNLXUCW-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.88
Rot. Bonds2

About 3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole

3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole (PubChem CID 123649410) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole
PubChem CID123649410
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole
SMILESCCc1cc(OC(F)(F)F)n(C)n1
InChIInChI=1S/C7H9F3N2O/c1-3-5-4-6(12(2)11-5)13-7(8,9)10/h4H,3H2,1-2H3
InChIKeyYKEQZXGNNLXUCW-UHFFFAOYSA-N
XLogP1.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-methyl-5-(trifluoromethoxy)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-methyl-5-(trifluoromethoxy)pyrazole?
The IUPAC name of 3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole (CID 123649410) is 3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole.
What is the SMILES notation for 3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole?
The canonical SMILES for 3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole is CCc1cc(OC(F)(F)F)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole?
The InChIKey is YKEQZXGNNLXUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-3-5-4-6(12(2)11-5)13-7(8,9)10/h4H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole?
3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole has a molecular weight of 194.16 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-(trifluoromethoxy)pyrazole is sourced from PubChem (CID 123649410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).