[(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone

C18H22FN3O3 — CID 136583079

IUPAC[(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
SMILESCOCCn1ccc(C(=O)N2CCO[C@H](c3cccc(F)c3)[C@H]2C)n1
InChIInChI=1S/C18H22FN3O3/c1-13-17(14-4-3-5-15(19)12-14)25-11-9-22(13)18(23)16-6-7-21(20-16)8-10-24-2/h3-7,12-13,17H,8-11H2,1-2H3/t13-,17+/m1/s1
InChIKeySTUSMORMWQBCBQ-DYVFJYSZSA-N
MW347.39 g/mol
LogP2.27
Rot. Bonds5

About [(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone

[(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone (PubChem CID 136583079) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is [(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
PubChem CID136583079
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name[(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
SMILESCOCCn1ccc(C(=O)N2CCO[C@H](c3cccc(F)c3)[C@H]2C)n1
InChIInChI=1S/C18H22FN3O3/c1-13-17(14-4-3-5-15(19)12-14)25-11-9-22(13)18(23)16-6-7-21(20-16)8-10-24-2/h3-7,12-13,17H,8-11H2,1-2H3/t13-,17+/m1/s1
InChIKeySTUSMORMWQBCBQ-DYVFJYSZSA-N
XLogP2.27
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile
CID 124741580
(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747092
[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
CID 124621907
1-[(2R,3S)-3-methyl-2-phenylmorpholin-4-yl]-4-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]butane-1,4-dione
CID 40782270
N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
CID 166224452
[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124622210
[4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone
CID 136548038
[1-(2-methoxyethyl)pyrazol-3-yl]-[(3S)-3-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone
CID 124619981
N-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide
CID 126731076
butanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine
CID 76960510
tert-butyl N-[(4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]carbamate
CID 146300570
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
The IUPAC name of [(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone (CID 136583079) is [(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone is COCCn1ccc(C(=O)N2CCO[C@H](c3cccc(F)c3)[C@H]2C)n1.
What is the InChIKey of [(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
The InChIKey is STUSMORMWQBCBQ-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-13-17(14-4-3-5-15(19)12-14)25-11-9-22(13)18(23)16-6-7-21(20-16)8-10-24-2/h3-7,12-13,17H,8-11H2,1-2H3/t13-,17+/m1/s1.
What are the key properties of [(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
[(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone has a molecular weight of 347.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 136583079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).