N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide

C17H26N4O3 — CID 90567769

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC(=O)N(C3CCOCC3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-12-9-13(2)21(19-12)6-5-18-17(23)14-10-16(22)20(11-14)15-3-7-24-8-4-15/h9,14-15H,3-8,10-11H2,1-2H3,(H,18,23)
InChIKeyOASDYLIEINFRHG-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.64
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90567769) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90567769
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC(=O)N(C3CCOCC3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-12-9-13(2)21(19-12)6-5-18-17(23)14-10-16(22)20(11-14)15-3-7-24-8-4-15/h9,14-15H,3-8,10-11H2,1-2H3,(H,18,23)
InChIKeyOASDYLIEINFRHG-UHFFFAOYSA-N
XLogP0.64
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 72883984
(3S)-1-cyclopentyl-5-oxo-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 97147266
1-cyclobutyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110687457
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567832
(3R)-1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 7328647
(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124806697
N-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 154768485
1-(2,4-difluorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 86930176
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 45351822
(3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97123174
1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 90567826
1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide
CID 72930951

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 90567769) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2CC(=O)N(C3CCOCC3)C2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OASDYLIEINFRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-9-13(2)21(19-12)6-5-18-17(23)14-10-16(22)20(11-14)15-3-7-24-8-4-15/h9,14-15H,3-8,10-11H2,1-2H3,(H,18,23).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90567769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).