3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one

C23H24FN3O3 — CID 46043113

IUPAC3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C23H24FN3O3/c1-17-19(11-12-22(28)26-13-15-29-16-14-26)23(30-21-10-6-5-9-20(21)24)27(25-17)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyVQOLFZPLHDJQNE-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.90
Rot. Bonds6

About 3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one

3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 46043113) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID46043113
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C23H24FN3O3/c1-17-19(11-12-22(28)26-13-15-29-16-14-26)23(30-21-10-6-5-9-20(21)24)27(25-17)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyVQOLFZPLHDJQNE-UHFFFAOYSA-N
XLogP3.90
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-methylpropanamide
CID 46043116
3-[1-(4-fluorophenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-1-thiomorpholin-4-ylpropan-1-one
CID 46042848
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 42850635
3-[3-methyl-5-(2-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42850672
N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042766
3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042576
3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042772
(2-morpholin-4-yl-2-oxoethyl) 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628593
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 43057713
(2R)-1-[[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]propan-2-ol
CID 93227431
[5-(2-fluoro-4-nitrophenoxy)-4-methyl-1-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 42812056
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one
CID 9255518

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one (CID 46043113) is 3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one is Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CCC(=O)N1CCOCC1.
What is the InChIKey of 3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is VQOLFZPLHDJQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-17-19(11-12-22(28)26-13-15-29-16-14-26)23(30-21-10-6-5-9-20(21)24)27(25-17)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3.
What are the key properties of 3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 409.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 46043113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).