3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole

C12H11F3N2O — CID 68624800

IUPAC3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole
SMILESCCOc1cc(C(F)(F)F)n(-c2ccccc2)n1
InChIInChI=1S/C12H11F3N2O/c1-2-18-11-8-10(12(13,14)15)17(16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyIAGFYIRPDXZUPV-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.29
Rot. Bonds3

About 3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole

3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole (PubChem CID 68624800) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole
PubChem CID68624800
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole
SMILESCCOc1cc(C(F)(F)F)n(-c2ccccc2)n1
InChIInChI=1S/C12H11F3N2O/c1-2-18-11-8-10(12(13,14)15)17(16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyIAGFYIRPDXZUPV-UHFFFAOYSA-N
XLogP3.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole (CID 68624800) is 3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole is CCOc1cc(C(F)(F)F)n(-c2ccccc2)n1.
What is the InChIKey of 3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole?
The InChIKey is IAGFYIRPDXZUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-2-18-11-8-10(12(13,14)15)17(16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole?
3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole has a molecular weight of 256.23 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 68624800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).