1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone

C17H20FN3O3 — CID 97343150

IUPAC1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone
SMILESCc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)CO
InChIInChI=1S/C17H20FN3O3/c1-11-17(15-10-24-8-7-20(15)16(23)9-22)12(2)21(19-11)14-6-4-3-5-13(14)18/h3-6,15,22H,7-10H2,1-2H3/t15-/m1/s1
InChIKeyLXELOSOLKLVEFW-OAHLLOKOSA-N
MW333.36 g/mol
LogP1.52
Rot. Bonds3

About 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone

1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone (PubChem CID 97343150) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone
PubChem CID97343150
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone
SMILESCc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)CO
InChIInChI=1S/C17H20FN3O3/c1-11-17(15-10-24-8-7-20(15)16(23)9-22)12(2)21(19-11)14-6-4-3-5-13(14)18/h3-6,15,22H,7-10H2,1-2H3/t15-/m1/s1
InChIKeyLXELOSOLKLVEFW-OAHLLOKOSA-N
XLogP1.52
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one
CID 97343099
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343105
(1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343134
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343102
[3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone
CID 166205618
N-(3-bromophenyl)-4-fluoro-3-[3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine-4-carbonyl]benzenesulfonamide
CID 166354571
2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone
CID 97343069
1-[(3S)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one
CID 97342997
1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 75473692
(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97332849
2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 97256182
[(3S)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]-phenylmethanone
CID 97346582

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone (CID 97343150) is 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone is Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)CO.
What is the InChIKey of 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone?
The InChIKey is LXELOSOLKLVEFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-17(15-10-24-8-7-20(15)16(23)9-22)12(2)21(19-11)14-6-4-3-5-13(14)18/h3-6,15,22H,7-10H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone?
1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone has a molecular weight of 333.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone is sourced from PubChem (CID 97343150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).