2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone

C15H15F3N4O — CID 138024982

IUPAC2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cnn(-c2ccccc2)n1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)11-6-7-21(10-11)14(23)8-12-9-19-22(20-12)13-4-2-1-3-5-13/h1-5,9,11H,6-8,10H2
InChIKeyGDCHYMWSUSHOPB-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.22
Rot. Bonds3

About 2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone

2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone (PubChem CID 138024982) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
PubChem CID138024982
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cnn(-c2ccccc2)n1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)11-6-7-21(10-11)14(23)8-12-9-19-22(20-12)13-4-2-1-3-5-13/h1-5,9,11H,6-8,10H2
InChIKeyGDCHYMWSUSHOPB-UHFFFAOYSA-N
XLogP2.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone 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 2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone (CID 138024982) is 2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone is O=C(Cc1cnn(-c2ccccc2)n1)N1CCC(C(F)(F)F)C1.
What is the InChIKey of 2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is GDCHYMWSUSHOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)11-6-7-21(10-11)14(23)8-12-9-19-22(20-12)13-4-2-1-3-5-13/h1-5,9,11H,6-8,10H2.
What are the key properties of 2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 324.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 138024982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).