(3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H23N5O2 — CID 94122507

IUPAC(3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2C[C@H](C(=O)NCc3nncn3CC)CC2=O)c1
InChIInChI=1S/C18H23N5O2/c1-3-13-6-5-7-15(8-13)23-11-14(9-17(23)24)18(25)19-10-16-21-20-12-22(16)4-2/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,19,25)/t14-/m1/s1
InChIKeyFEOZNJDLYUXQLI-CQSZACIVSA-N
MW341.42 g/mol
LogP1.53
Rot. Bonds6

About (3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94122507) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94122507
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2C[C@H](C(=O)NCc3nncn3CC)CC2=O)c1
InChIInChI=1S/C18H23N5O2/c1-3-13-6-5-7-15(8-13)23-11-14(9-17(23)24)18(25)19-10-16-21-20-12-22(16)4-2/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,19,25)/t14-/m1/s1
InChIKeyFEOZNJDLYUXQLI-CQSZACIVSA-N
XLogP1.53
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94122457
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71895452
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
(3R)-1-(3-ethylphenyl)-N-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 30787471
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946600
N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946643
1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42947097
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
methyl 4-[[1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42946684
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 94122507) is (3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCc1cccc(N2C[C@H](C(=O)NCc3nncn3CC)CC2=O)c1.
What is the InChIKey of (3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FEOZNJDLYUXQLI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-13-6-5-7-15(8-13)23-11-14(9-17(23)24)18(25)19-10-16-21-20-12-22(16)4-2/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,19,25)/t14-/m1/s1.
What are the key properties of (3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94122507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).