[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone

C18H22FN3O2 — CID 124626418

IUPAC[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone
SMILESCC(C)c1[nH]ncc1C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O2/c1-11(2)17-15(8-20-21-17)18(23)22-9-12(3)24-16(10-22)13-4-6-14(19)7-5-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,20,21)/t12-,16+/m0/s1
InChIKeyZEXIJLJDVNIABF-BLLLJJGKSA-N
MW331.39 g/mol
LogP3.27
Rot. Bonds3

About [(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone

[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone (PubChem CID 124626418) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone
PubChem CID124626418
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone
SMILESCC(C)c1[nH]ncc1C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O2/c1-11(2)17-15(8-20-21-17)18(23)22-9-12(3)24-16(10-22)13-4-6-14(19)7-5-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,20,21)/t12-,16+/m0/s1
InChIKeyZEXIJLJDVNIABF-BLLLJJGKSA-N
XLogP3.27
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propan-1-one
CID 119332587
cyclopropyl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369168
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 120635302
(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369215
1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95215460
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95583774
[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 124697908
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]ethanone
CID 110369198
(2-chloro-6-fluorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369220
1,3-benzodioxol-5-yl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369219
1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119799303

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone (CID 124626418) is [(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone is CC(C)c1[nH]ncc1C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of [(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is ZEXIJLJDVNIABF-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-11(2)17-15(8-20-21-17)18(23)22-9-12(3)24-16(10-22)13-4-6-14(19)7-5-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,20,21)/t12-,16+/m0/s1.
What are the key properties of [(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone?
[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 331.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 124626418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).