1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C17H19N5O2 — CID 86207016

IUPAC1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1n[nH]c(C2CC2)n1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H19N5O2/c23-14-8-13(10-22(14)9-11-4-2-1-3-5-11)16(24)19-17-18-15(20-21-17)12-6-7-12/h1-5,12-13H,6-10H2,(H2,18,19,20,21,24)
InChIKeyPSKLWADEEORSLZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.67
Rot. Bonds5

About 1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 86207016) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID86207016
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1n[nH]c(C2CC2)n1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H19N5O2/c23-14-8-13(10-22(14)9-11-4-2-1-3-5-11)16(24)19-17-18-15(20-21-17)12-6-7-12/h1-5,12-13H,6-10H2,(H2,18,19,20,21,24)
InChIKeyPSKLWADEEORSLZ-UHFFFAOYSA-N
XLogP1.67
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(1,3-benzothiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 8882783
5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 156585451
(3S)-1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 29137132
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18079780
1-benzyl-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 108768265
(3S)-1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 26362758
1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4811389
1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 154759959
1-benzyl-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108763157
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 156584180
1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2993497
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 86207016) is 1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1n[nH]c(C2CC2)n1)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PSKLWADEEORSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-14-8-13(10-22(14)9-11-4-2-1-3-5-11)16(24)19-17-18-15(20-21-17)12-6-7-12/h1-5,12-13H,6-10H2,(H2,18,19,20,21,24).
What are the key properties of 1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86207016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).