(5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one

C15H17N3O3 — CID 118117606

IUPAC(5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one
SMILESCOc1ccc(C[C@@H]2COCC(=O)N2)cc1-n1cccn1
InChIInChI=1S/C15H17N3O3/c1-20-14-4-3-11(7-12-9-21-10-15(19)17-12)8-13(14)18-6-2-5-16-18/h2-6,8,12H,7,9-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyNQACIJHRJOLDFZ-GFCCVEGCSA-N
MW287.32 g/mol
LogP0.94
Rot. Bonds4

About (5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one

(5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one (PubChem CID 118117606) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name(5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one
PubChem CID118117606
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one
SMILESCOc1ccc(C[C@@H]2COCC(=O)N2)cc1-n1cccn1
InChIInChI=1S/C15H17N3O3/c1-20-14-4-3-11(7-12-9-21-10-15(19)17-12)8-13(14)18-6-2-5-16-18/h2-6,8,12H,7,9-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyNQACIJHRJOLDFZ-GFCCVEGCSA-N
XLogP0.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one 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 (5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one?
The IUPAC name of (5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one (CID 118117606) is (5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one.
What is the SMILES notation for (5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one?
The canonical SMILES for (5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one is COc1ccc(C[C@@H]2COCC(=O)N2)cc1-n1cccn1.
What is the InChIKey of (5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one?
The InChIKey is NQACIJHRJOLDFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-14-4-3-11(7-12-9-21-10-15(19)17-12)8-13(14)18-6-2-5-16-18/h2-6,8,12H,7,9-10H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one?
(5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one has a molecular weight of 287.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 118117606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).