2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

C13H19N3O4 — CID 83095058

IUPAC2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)CC(C(=O)O)C1c1cn(C)nc1C
InChIInChI=1S/C13H19N3O4/c1-8-10(7-15(2)14-8)12-9(13(18)19)6-11(17)16(12)4-5-20-3/h7,9,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyNAUIFXWXLAPBAJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.35
Rot. Bonds5

About 2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 83095058) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID83095058
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)CC(C(=O)O)C1c1cn(C)nc1C
InChIInChI=1S/C13H19N3O4/c1-8-10(7-15(2)14-8)12-9(13(18)19)6-11(17)16(12)4-5-20-3/h7,9,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyNAUIFXWXLAPBAJ-UHFFFAOYSA-N
XLogP0.35
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 83095058) is 2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid is COCCN1C(=O)CC(C(=O)O)C1c1cn(C)nc1C.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NAUIFXWXLAPBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-10(7-15(2)14-8)12-9(13(18)19)6-11(17)16(12)4-5-20-3/h7,9,12H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83095058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).