2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone

C19H25N3O4 — CID 97343069

IUPAC2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone
SMILESCOCC(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C
InChIInChI=1S/C19H25N3O4/c1-13-19(17-11-26-9-8-21(17)18(23)12-24-3)14(2)22(20-13)15-6-5-7-16(10-15)25-4/h5-7,10,17H,8-9,11-12H2,1-4H3/t17-/m0/s1
InChIKeyYQZVWAXLWGXSHF-KRWDZBQOSA-N
MW359.43 g/mol
LogP2.04
Rot. Bonds5

About 2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone

2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone (PubChem CID 97343069) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone
PubChem CID97343069
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone
SMILESCOCC(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C
InChIInChI=1S/C19H25N3O4/c1-13-19(17-11-26-9-8-21(17)18(23)12-24-3)14(2)22(20-13)15-6-5-7-16(10-15)25-4/h5-7,10,17H,8-9,11-12H2,1-4H3/t17-/m0/s1
InChIKeyYQZVWAXLWGXSHF-KRWDZBQOSA-N
XLogP2.04
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122066754
(1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343087
[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 75473726
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343058
2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 97256182
1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 75473692
2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 75399303
1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one
CID 97343099
1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone
CID 97343150
[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75473685
2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide
CID 75474361
4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
CID 119216678

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone (CID 97343069) is 2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone is COCC(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C.
What is the InChIKey of 2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone?
The InChIKey is YQZVWAXLWGXSHF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-19(17-11-26-9-8-21(17)18(23)12-24-3)14(2)22(20-13)15-6-5-7-16(10-15)25-4/h5-7,10,17H,8-9,11-12H2,1-4H3/t17-/m0/s1.
What are the key properties of 2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone?
2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone has a molecular weight of 359.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 97343069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).