3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid

C20H25N3O5 — CID 122066754

IUPAC3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid
SMILESCOc1cccc(-n2nc(C)c(C3COCCN3C(=O)C(C)C(=O)O)c2C)c1
InChIInChI=1S/C20H25N3O5/c1-12(20(25)26)19(24)22-8-9-28-11-17(22)18-13(2)21-23(14(18)3)15-6-5-7-16(10-15)27-4/h5-7,10,12,17H,8-9,11H2,1-4H3,(H,25,26)
InChIKeyAZLFDLSLNWMJFH-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.12
Rot. Bonds5

About 3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid

3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid (PubChem CID 122066754) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid
PubChem CID122066754
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid
SMILESCOc1cccc(-n2nc(C)c(C3COCCN3C(=O)C(C)C(=O)O)c2C)c1
InChIInChI=1S/C20H25N3O5/c1-12(20(25)26)19(24)22-8-9-28-11-17(22)18-13(2)21-23(14(18)3)15-6-5-7-16(10-15)27-4/h5-7,10,12,17H,8-9,11H2,1-4H3,(H,25,26)
InChIKeyAZLFDLSLNWMJFH-UHFFFAOYSA-N
XLogP2.12
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid (CID 122066754) is 3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid is COc1cccc(-n2nc(C)c(C3COCCN3C(=O)C(C)C(=O)O)c2C)c1.
What is the InChIKey of 3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid?
The InChIKey is AZLFDLSLNWMJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-12(20(25)26)19(24)22-8-9-28-11-17(22)18-13(2)21-23(14(18)3)15-6-5-7-16(10-15)27-4/h5-7,10,12,17H,8-9,11H2,1-4H3,(H,25,26).
What are the key properties of 3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid?
3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid has a molecular weight of 387.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 122066754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).