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

C18H22FN3O2 — CID 97343099

IUPAC1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C
InChIInChI=1S/C18H22FN3O2/c1-4-17(23)21-9-10-24-11-16(21)18-12(2)20-22(13(18)3)15-8-6-5-7-14(15)19/h5-8,16H,4,9-11H2,1-3H3/t16-/m1/s1
InChIKeyGUOXZPPHAVVOST-MRXNPFEDSA-N
MW331.39 g/mol
LogP2.94
Rot. Bonds3

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

1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one (PubChem CID 97343099) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one
PubChem CID97343099
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C
InChIInChI=1S/C18H22FN3O2/c1-4-17(23)21-9-10-24-11-16(21)18-12(2)20-22(13(18)3)15-8-6-5-7-14(15)19/h5-8,16H,4,9-11H2,1-3H3/t16-/m1/s1
InChIKeyGUOXZPPHAVVOST-MRXNPFEDSA-N
XLogP2.94
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone
CID 97343150
(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
1-[(3S)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one
CID 97342997
[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-[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]propan-1-one?
The IUPAC name of 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one (CID 97343099) is 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one is CCC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C.
What is the InChIKey of 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one?
The InChIKey is GUOXZPPHAVVOST-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-4-17(23)21-9-10-24-11-16(21)18-12(2)20-22(13(18)3)15-8-6-5-7-14(15)19/h5-8,16H,4,9-11H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one?
1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one has a molecular weight of 331.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 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]propan-1-one is sourced from PubChem (CID 97343099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).