1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone

C30H27N3O4 — CID 149018348

IUPAC1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone
SMILESO=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3cn[nH]c3)cc2)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C30H27N3O4/c34-28(23-9-11-27(12-10-23)33-13-15-37-16-14-33)17-21-1-5-24(6-2-21)30(36)25-7-3-22(4-8-25)18-29(35)26-19-31-32-20-26/h1-12,19-20H,13-18H2,(H,31,32)
InChIKeyQCZDOUXAIDHNRQ-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.33
Rot. Bonds9

About 1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone

1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone (PubChem CID 149018348) has the molecular formula C30H27N3O4 and a molecular weight of 493.56 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone
PubChem CID149018348
Molecular FormulaC30H27N3O4
Molecular Weight493.56 g/mol
Exact Mass493.20
IUPAC Name1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone
SMILESO=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3cn[nH]c3)cc2)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C30H27N3O4/c34-28(23-9-11-27(12-10-23)33-13-15-37-16-14-33)17-21-1-5-24(6-2-21)30(36)25-7-3-22(4-8-25)18-29(35)26-19-31-32-20-26/h1-12,19-20H,13-18H2,(H,31,32)
InChIKeyQCZDOUXAIDHNRQ-UHFFFAOYSA-N
XLogP4.33
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone 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

1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone
CID 149139518
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 147593582
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone
CID 147284863
1-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-[4-[4-[2-(1H-indol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone
CID 148550986
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 67113232
5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489
[4-(dimethylamino)phenyl]-(4-morpholin-4-ylphenyl)methanone
CID 101130657

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone (CID 149018348) is 1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone is O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3cn[nH]c3)cc2)cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone?
The InChIKey is QCZDOUXAIDHNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4/c34-28(23-9-11-27(12-10-23)33-13-15-37-16-14-33)17-21-1-5-24(6-2-21)30(36)25-7-3-22(4-8-25)18-29(35)26-19-31-32-20-26/h1-12,19-20H,13-18H2,(H,31,32).
What are the key properties of 1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone?
1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone has a molecular weight of 493.56 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone is sourced from PubChem (CID 149018348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).