3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole

C12H11F3N2O2 — CID 134373203

IUPAC3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCCOc1ccn(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N2O2/c1-2-18-11-7-8-17(16-11)9-3-5-10(6-4-9)19-12(13,14)15/h3-8H,2H2,1H3
InChIKeyLPRHKSVHABMWDT-UHFFFAOYSA-N
MW272.23 g/mol
LogP3.17
Rot. Bonds4

About 3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole

3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole (PubChem CID 134373203) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole
PubChem CID134373203
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCCOc1ccn(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N2O2/c1-2-18-11-7-8-17(16-11)9-3-5-10(6-4-9)19-12(13,14)15/h3-8H,2H2,1H3
InChIKeyLPRHKSVHABMWDT-UHFFFAOYSA-N
XLogP3.17
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-1-[4-(trifluoromethoxy)phenyl]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-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The IUPAC name of 3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole (CID 134373203) is 3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole is CCOc1ccn(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The InChIKey is LPRHKSVHABMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-2-18-11-7-8-17(16-11)9-3-5-10(6-4-9)19-12(13,14)15/h3-8H,2H2,1H3.
What are the key properties of 3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole?
3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole has a molecular weight of 272.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 134373203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).