[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone

C24H27N3O3 — CID 27660802

IUPAC[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C24H27N3O3/c1-16-8-10-20(11-9-16)27-15-22(24(28)26-13-17(2)30-18(3)14-26)23(25-27)19-6-5-7-21(12-19)29-4/h5-12,15,17-18H,13-14H2,1-4H3/t17-,18-/m1/s1
InChIKeyJICDXWSMQJLELF-QZTJIDSGSA-N
MW405.50 g/mol
LogP4.11
Rot. Bonds4

About [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone (PubChem CID 27660802) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
PubChem CID27660802
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C24H27N3O3/c1-16-8-10-20(11-9-16)27-15-22(24(28)26-13-17(2)30-18(3)14-26)23(25-27)19-6-5-7-21(12-19)29-4/h5-12,15,17-18H,13-14H2,1-4H3/t17-,18-/m1/s1
InChIKeyJICDXWSMQJLELF-QZTJIDSGSA-N
XLogP4.11
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-diazepan-1-yl-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 119417182
[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26245495
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 43016854
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154275
[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 43040236
[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55849759
(3S)-1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124693422
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 38002651
[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 46510457
1-[4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 52573416
N-(2-hydroxypropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78802788

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone (CID 27660802) is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone is COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2C[C@@H](C)O[C@H](C)C2)c1.
What is the InChIKey of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone?
The InChIKey is JICDXWSMQJLELF-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-8-10-20(11-9-16)27-15-22(24(28)26-13-17(2)30-18(3)14-26)23(25-27)19-6-5-7-21(12-19)29-4/h5-12,15,17-18H,13-14H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone?
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 27660802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).