[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

C21H20FN3O3 — CID 56750315

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)[nH]n2)cc1
InChIInChI=1S/C21H20FN3O3/c1-27-17-8-4-14(5-9-17)18-12-19(24-23-18)21(26)25-10-11-28-20(13-25)15-2-6-16(22)7-3-15/h2-9,12,20H,10-11,13H2,1H3,(H,23,24)
InChIKeyFJCUTBMSWWIFBA-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.44
Rot. Bonds4

About [2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 56750315) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID56750315
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)[nH]n2)cc1
InChIInChI=1S/C21H20FN3O3/c1-27-17-8-4-14(5-9-17)18-12-19(24-23-18)21(26)25-10-11-28-20(13-25)15-2-6-16(22)7-3-15/h2-9,12,20H,10-11,13H2,1H3,(H,23,24)
InChIKeyFJCUTBMSWWIFBA-UHFFFAOYSA-N
XLogP3.44
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125165768
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 166249087
[2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 126783270
(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56877212
(3-amino-1H-pyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95556703
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70719830

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 56750315) is [2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)[nH]n2)cc1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is FJCUTBMSWWIFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-17-8-4-14(5-9-17)18-12-19(24-23-18)21(26)25-10-11-28-20(13-25)15-2-6-16(22)7-3-15/h2-9,12,20H,10-11,13H2,1H3,(H,23,24).
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 381.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 56750315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).