1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid

C16H21F3N4O4 — CID 154888279

IUPAC1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1ccnc1CNC(=O)C1CC(=O)N(C2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2.C2HF3O2/c1-2-17-6-5-15-12(17)8-16-14(20)10-7-13(19)18(9-10)11-3-4-11;3-2(4,5)1(6)7/h5-6,10-11H,2-4,7-9H2,1H3,(H,16,20);(H,6,7)
InChIKeyKORMQLLWYHFJFR-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.16
Rot. Bonds5

About 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid

1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154888279) has the molecular formula C16H21F3N4O4 and a molecular weight of 390.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154888279
Molecular FormulaC16H21F3N4O4
Molecular Weight390.36 g/mol
Exact Mass390.15
IUPAC Name1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1ccnc1CNC(=O)C1CC(=O)N(C2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2.C2HF3O2/c1-2-17-6-5-15-12(17)8-16-14(20)10-7-13(19)18(9-10)11-3-4-11;3-2(4,5)1(6)7/h5-6,10-11H,2-4,7-9H2,1H3,(H,16,20);(H,6,7)
InChIKeyKORMQLLWYHFJFR-UHFFFAOYSA-N
XLogP1.16
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97119665
1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 136546576
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369322
(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95129510
1-cyclopropyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-oxopyrrolidine-3-carboxamide
CID 50984090
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 97124896
N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 70733611
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 45220820
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 154888279) is 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is CCn1ccnc1CNC(=O)C1CC(=O)N(C2CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KORMQLLWYHFJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.C2HF3O2/c1-2-17-6-5-15-12(17)8-16-14(20)10-7-13(19)18(9-10)11-3-4-11;3-2(4,5)1(6)7/h5-6,10-11H,2-4,7-9H2,1H3,(H,16,20);(H,6,7).
What are the key properties of 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 390.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).