1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone

C17H20FN3O2 — CID 125138569

IUPAC1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone
SMILESCCn1cc([C@@H]2CN(c3cccc(F)c3C(C)=O)CCO2)cn1
InChIInChI=1S/C17H20FN3O2/c1-3-21-10-13(9-19-21)16-11-20(7-8-23-16)15-6-4-5-14(18)17(15)12(2)22/h4-6,9-10,16H,3,7-8,11H2,1-2H3/t16-/m0/s1
InChIKeyNXLAVMXXSHILJN-INIZCTEOSA-N
MW317.36 g/mol
LogP2.82
Rot. Bonds4

About 1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone

1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone (PubChem CID 125138569) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone
PubChem CID125138569
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone
SMILESCCn1cc([C@@H]2CN(c3cccc(F)c3C(C)=O)CCO2)cn1
InChIInChI=1S/C17H20FN3O2/c1-3-21-10-13(9-19-21)16-11-20(7-8-23-16)15-6-4-5-14(18)17(15)12(2)22/h4-6,9-10,16H,3,7-8,11H2,1-2H3/t16-/m0/s1
InChIKeyNXLAVMXXSHILJN-INIZCTEOSA-N
XLogP2.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone
CID 95175510
1-[2-fluoro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 62974493
1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one
CID 126841376
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone
CID 115658685
2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 124622493
(2R)-4-(3,5-dichloro-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 100646745
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine
CID 122139237
N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline
CID 124622494
(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827504
1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 133285215

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone (CID 125138569) is 1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone is CCn1cc([C@@H]2CN(c3cccc(F)c3C(C)=O)CCO2)cn1.
What is the InChIKey of 1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone?
The InChIKey is NXLAVMXXSHILJN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-3-21-10-13(9-19-21)16-11-20(7-8-23-16)15-6-4-5-14(18)17(15)12(2)22/h4-6,9-10,16H,3,7-8,11H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone?
1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone has a molecular weight of 317.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone is sourced from PubChem (CID 125138569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).