[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone

C21H23N3O2S — CID 7494838

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
SMILESCc1cccc(-n2nc(-c3cccs3)cc2C(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C21H23N3O2S/c1-14-6-4-7-17(10-14)24-19(11-18(22-24)20-8-5-9-27-20)21(25)23-12-15(2)26-16(3)13-23/h4-11,15-16H,12-13H2,1-3H3/t15-,16-/m0/s1
InChIKeyCUEFUPNRHKILPX-HOTGVXAUSA-N
MW381.50 g/mol
LogP4.16
Rot. Bonds3

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone (PubChem CID 7494838) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
PubChem CID7494838
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
SMILESCc1cccc(-n2nc(-c3cccs3)cc2C(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C21H23N3O2S/c1-14-6-4-7-17(10-14)24-19(11-18(22-24)20-8-5-9-27-20)21(25)23-12-15(2)26-16(3)13-23/h4-11,15-16H,12-13H2,1-3H3/t15-,16-/m0/s1
InChIKeyCUEFUPNRHKILPX-HOTGVXAUSA-N
XLogP4.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 7494836
[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3957746
(2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 42761915
(2,6-dimethylmorpholin-4-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 5233267
(2-methylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 17491687
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 2414759
1-[4-[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]piperazin-1-yl]ethanone
CID 4285307
N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762090
[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42662964
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7499176
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7499175
(4-hydroxypiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 9245712

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone (CID 7494838) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone is Cc1cccc(-n2nc(-c3cccs3)cc2C(=O)N2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
The InChIKey is CUEFUPNRHKILPX-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14-6-4-7-17(10-14)24-19(11-18(22-24)20-8-5-9-27-20)21(25)23-12-15(2)26-16(3)13-23/h4-11,15-16H,12-13H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone has a molecular weight of 381.50 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone is sourced from PubChem (CID 7494838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).