2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone

C16H17F2N3O3 — CID 138026114

IUPAC2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(F)c(F)c1)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C16H17F2N3O3/c17-14-3-2-12(8-15(14)18)24-11-16(22)20-6-7-23-13(9-20)10-21-5-1-4-19-21/h1-5,8,13H,6-7,9-11H2
InChIKeyNCOGFXRYPAIHKF-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.47
Rot. Bonds5

About 2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone

2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone (PubChem CID 138026114) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
PubChem CID138026114
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(F)c(F)c1)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C16H17F2N3O3/c17-14-3-2-12(8-15(14)18)24-11-16(22)20-6-7-23-13(9-20)10-21-5-1-4-19-21/h1-5,8,13H,6-7,9-11H2
InChIKeyNCOGFXRYPAIHKF-UHFFFAOYSA-N
XLogP1.47
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
CID 167810232
2-[4-(2-aminoethoxy)phenyl]-1-[(2R)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 126436592
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 92988117
1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone
CID 96568135
(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881009
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46041076
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 155946961
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 119239496
4-fluoro-3-[2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carbonyl]benzenesulfonamide
CID 72838567
(2R)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 119880996

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone (CID 138026114) is 2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone is O=C(COc1ccc(F)c(F)c1)N1CCOC(Cn2cccn2)C1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?
The InChIKey is NCOGFXRYPAIHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c17-14-3-2-12(8-15(14)18)24-11-16(22)20-6-7-23-13(9-20)10-21-5-1-4-19-21/h1-5,8,13H,6-7,9-11H2.
What are the key properties of 2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?
2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone has a molecular weight of 337.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 138026114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).