(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone

C18H23N3O3 — CID 42759699

IUPAC(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC(C)OC(C)C3)n(C)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-12-10-21(11-13(2)24-12)18(22)17-9-16(19-20(17)3)14-5-7-15(23-4)8-6-14/h5-9,12-13H,10-11H2,1-4H3
InChIKeyXDORLXXHLNUABG-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.35
Rot. Bonds3

About (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone (PubChem CID 42759699) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
PubChem CID42759699
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC(C)OC(C)C3)n(C)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-12-10-21(11-13(2)24-12)18(22)17-9-16(19-20(17)3)14-5-7-15(23-4)8-6-14/h5-9,12-13H,10-11H2,1-4H3
InChIKeyXDORLXXHLNUABG-UHFFFAOYSA-N
XLogP2.35
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 42758584
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 42755284
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]methanone
CID 7328385
[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759712
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 7693946
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593569
3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1,4-dimethylpyrrol-2-yl]methanone
CID 24880561
(2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 78774228
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone
CID 7306681
(4R)-1'-[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]-4-methylspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 133071364
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 39891621

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone (CID 42759699) is (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone is COc1ccc(-c2cc(C(=O)N3CC(C)OC(C)C3)n(C)n2)cc1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The InChIKey is XDORLXXHLNUABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-10-21(11-13(2)24-12)18(22)17-9-16(19-20(17)3)14-5-7-15(23-4)8-6-14/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone is sourced from PubChem (CID 42759699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).