N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C18H28N4O5 — CID 167851297

IUPACN-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NCC2(OCCO)CCOCC2)C1c1ccnn1C
InChIInChI=1S/C18H28N4O5/c1-21-15(24)11-13(16(21)14-3-6-20-22(14)2)17(25)19-12-18(27-10-7-23)4-8-26-9-5-18/h3,6,13,16,23H,4-5,7-12H2,1-2H3,(H,19,25)
InChIKeyRUALUTCRNRZSIH-UHFFFAOYSA-N
MW380.45 g/mol
LogP-0.39
Rot. Bonds7

About N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 167851297) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID167851297
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC NameN-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NCC2(OCCO)CCOCC2)C1c1ccnn1C
InChIInChI=1S/C18H28N4O5/c1-21-15(24)11-13(16(21)14-3-6-20-22(14)2)17(25)19-12-18(27-10-7-23)4-8-26-9-5-18/h3,6,13,16,23H,4-5,7-12H2,1-2H3,(H,19,25)
InChIKeyRUALUTCRNRZSIH-UHFFFAOYSA-N
XLogP-0.39
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide
CID 124733637
3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide
CID 128989098
2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide
CID 100741381
1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557617
N-[(2S,3S)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 154869795
(2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457190
1-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 100741820
(2S,3S)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 135254781
(2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 136584447
N-(3-aminopropyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 175604220
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide
CID 129335251
1-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-3-[(1S,3S)-3-methylsulfanylcyclohexyl]urea
CID 124852996

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 167851297) is N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CN1C(=O)CC(C(=O)NCC2(OCCO)CCOCC2)C1c1ccnn1C.
What is the InChIKey of N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RUALUTCRNRZSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5/c1-21-15(24)11-13(16(21)14-3-6-20-22(14)2)17(25)19-12-18(27-10-7-23)4-8-26-9-5-18/h3,6,13,16,23H,4-5,7-12H2,1-2H3,(H,19,25).
What are the key properties of N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167851297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).