3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid

C11H15N3O4 — CID 114557644

IUPAC3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
SMILESCCn1nccc1C1C(C(=O)O)OCC(=O)N1C
InChIInChI=1S/C11H15N3O4/c1-3-14-7(4-5-12-14)9-10(11(16)17)18-6-8(15)13(9)2/h4-5,9-10H,3,6H2,1-2H3,(H,16,17)
InChIKeyPVSDFMCMYFAFHU-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.11
Rot. Bonds3

About 3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid

3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid (PubChem CID 114557644) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
PubChem CID114557644
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
SMILESCCn1nccc1C1C(C(=O)O)OCC(=O)N1C
InChIInChI=1S/C11H15N3O4/c1-3-14-7(4-5-12-14)9-10(11(16)17)18-6-8(15)13(9)2/h4-5,9-10H,3,6H2,1-2H3,(H,16,17)
InChIKeyPVSDFMCMYFAFHU-UHFFFAOYSA-N
XLogP-0.11
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 66135506
4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid
CID 66117906
2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 114557623
1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557617
4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557609
(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95737990
(4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one
CID 178196634
3-(2-cyanophenyl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114018048
3-(5-fluoro-2-methylphenyl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114075912
1-ethyl-7-oxo-2-(2-propylpyrazol-3-yl)azepane-3-carboxylic acid
CID 114557657
(2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163336063
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid?
The IUPAC name of 3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid (CID 114557644) is 3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid.
What is the SMILES notation for 3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid?
The canonical SMILES for 3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid is CCn1nccc1C1C(C(=O)O)OCC(=O)N1C.
What is the InChIKey of 3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid?
The InChIKey is PVSDFMCMYFAFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-14-7(4-5-12-14)9-10(11(16)17)18-6-8(15)13(9)2/h4-5,9-10H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid?
3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid is sourced from PubChem (CID 114557644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).