[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate

C23H23N3O4 — CID 8641086

IUPAC[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O4/c1-17-11-12-24-26(17)20-9-7-19(8-10-20)23(28)30-21(18-5-3-2-4-6-18)22(27)25-13-15-29-16-14-25/h2-12,21H,13-16H2,1H3/t21-/m0/s1
InChIKeyLJZCYIFQXINGOI-NRFANRHFSA-N
MW405.45 g/mol
LogP2.94
Rot. Bonds5

About [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate (PubChem CID 8641086) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate
PubChem CID8641086
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O4/c1-17-11-12-24-26(17)20-9-7-19(8-10-20)23(28)30-21(18-5-3-2-4-6-18)22(27)25-13-15-29-16-14-25/h2-12,21H,13-16H2,1H3/t21-/m0/s1
InChIKeyLJZCYIFQXINGOI-NRFANRHFSA-N
XLogP2.94
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate 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

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8644038
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8554229
[(2R)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8554214
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913161
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate
CID 18199494
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7705762
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
CID 18123272
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
CID 24519167

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate (CID 8641086) is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate.
What is the SMILES notation for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The canonical SMILES for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate is Cc1ccnn1-c1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The InChIKey is LJZCYIFQXINGOI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-17-11-12-24-26(17)20-9-7-19(8-10-20)23(28)30-21(18-5-3-2-4-6-18)22(27)25-13-15-29-16-14-25/h2-12,21H,13-16H2,1H3/t21-/m0/s1.
What are the key properties of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate?
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate has a molecular weight of 405.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate is sourced from PubChem (CID 8641086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).