2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone

C20H25N3O4 — CID 75399303

IUPAC2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCOCC2c2c(C)nn(C)c2C)c1
InChIInChI=1S/C20H25N3O4/c1-13-20(14(2)22(4)21-13)18-11-26-9-8-23(18)19(25)12-27-17-7-5-6-16(10-17)15(3)24/h5-7,10,18H,8-9,11-12H2,1-4H3
InChIKeyFJDVLBHDUMGUGO-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.22
Rot. Bonds5

About 2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone

2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone (PubChem CID 75399303) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
PubChem CID75399303
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCOCC2c2c(C)nn(C)c2C)c1
InChIInChI=1S/C20H25N3O4/c1-13-20(14(2)22(4)21-13)18-11-26-9-8-23(18)19(25)12-27-17-7-5-6-16(10-17)15(3)24/h5-7,10,18H,8-9,11-12H2,1-4H3
InChIKeyFJDVLBHDUMGUGO-UHFFFAOYSA-N
XLogP2.22
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 97256182
2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone
CID 97343069
2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 155949674
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
CID 120874001
(2-methylphenyl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471264
(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97332849
2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 55394267
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 127734895
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348
2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105469
cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97256154

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone (CID 75399303) is 2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone is CC(=O)c1cccc(OCC(=O)N2CCOCC2c2c(C)nn(C)c2C)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The InChIKey is FJDVLBHDUMGUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-20(14(2)22(4)21-13)18-11-26-9-8-23(18)19(25)12-27-17-7-5-6-16(10-17)15(3)24/h5-7,10,18H,8-9,11-12H2,1-4H3.
What are the key properties of 2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 75399303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).