2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide

C16H17F3N4O — CID 97157859

IUPAC2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
SMILESO=C(Cn1ccnn1)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)13-6-2-1-4-11(13)12-5-3-7-14(12)21-15(24)10-23-9-8-20-22-23/h1-2,4,6,8-9,12,14H,3,5,7,10H2,(H,21,24)/t12-,14+/m1/s1
InChIKeyJLYQYIQFZIAUDT-OCCSQVGLSA-N
MW338.33 g/mol
LogP2.75
Rot. Bonds4

About 2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide

2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide (PubChem CID 97157859) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
PubChem CID97157859
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
SMILESO=C(Cn1ccnn1)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)13-6-2-1-4-11(13)12-5-3-7-14(12)21-15(24)10-23-9-8-20-22-23/h1-2,4,6,8-9,12,14H,3,5,7,10H2,(H,21,24)/t12-,14+/m1/s1
InChIKeyJLYQYIQFZIAUDT-OCCSQVGLSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide 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-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide?
The IUPAC name of 2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide (CID 97157859) is 2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide.
What is the SMILES notation for 2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide?
The canonical SMILES for 2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide is O=C(Cn1ccnn1)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide?
The InChIKey is JLYQYIQFZIAUDT-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)13-6-2-1-4-11(13)12-5-3-7-14(12)21-15(24)10-23-9-8-20-22-23/h1-2,4,6,8-9,12,14H,3,5,7,10H2,(H,21,24)/t12-,14+/m1/s1.
What are the key properties of 2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide?
2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide has a molecular weight of 338.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide is sourced from PubChem (CID 97157859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).