2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

C15H20F3N5O2 — CID 164638823

IUPAC2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc([C@H]2CC(=O)N(C3CCCC3)C2)n(CC(F)(F)F)n1
InChIInChI=1S/C15H20F3N5O2/c16-15(17,18)8-23-14(20-12(21-23)6-11(19)24)9-5-13(25)22(7-9)10-3-1-2-4-10/h9-10H,1-8H2,(H2,19,24)/t9-/m0/s1
InChIKeyOUDFZQLKGKSZIL-VIFPVBQESA-N
MW359.35 g/mol
LogP1.13
Rot. Bonds5

About 2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 164638823) has the molecular formula C15H20F3N5O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID164638823
Molecular FormulaC15H20F3N5O2
Molecular Weight359.35 g/mol
Exact Mass359.16
IUPAC Name2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc([C@H]2CC(=O)N(C3CCCC3)C2)n(CC(F)(F)F)n1
InChIInChI=1S/C15H20F3N5O2/c16-15(17,18)8-23-14(20-12(21-23)6-11(19)24)9-5-13(25)22(7-9)10-3-1-2-4-10/h9-10H,1-8H2,(H2,19,24)/t9-/m0/s1
InChIKeyOUDFZQLKGKSZIL-VIFPVBQESA-N
XLogP1.13
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55913122
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120641916
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 120641917
(3S,4S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120951591
1-{[3-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]methyl}pyrrolidin-2-one
CID 131925933
2-[5-(1-Cyclopentyl-5-oxopyrrolidin-3-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
CID 131933521
N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 132377952
(3S,4S)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 132400312
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 154772009
N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 60284562
1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 64547416
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide
CID 70704359

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (CID 164638823) is 2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc([C@H]2CC(=O)N(C3CCCC3)C2)n(CC(F)(F)F)n1.
What is the InChIKey of 2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is OUDFZQLKGKSZIL-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20F3N5O2/c16-15(17,18)8-23-14(20-12(21-23)6-11(19)24)9-5-13(25)22(7-9)10-3-1-2-4-10/h9-10H,1-8H2,(H2,19,24)/t9-/m0/s1.
What are the key properties of 2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 359.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 164638823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).