3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one

C23H24FN3O3 — CID 46042750

IUPAC3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C23H24FN3O3/c1-17-21(11-12-22(28)26-13-15-29-16-14-26)23(30-20-5-3-2-4-6-20)27(25-17)19-9-7-18(24)8-10-19/h2-10H,11-16H2,1H3
InChIKeyYZJNKMUIESGUAR-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.90
Rot. Bonds6

About 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one

3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 46042750) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID46042750
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C23H24FN3O3/c1-17-21(11-12-22(28)26-13-15-29-16-14-26)23(30-20-5-3-2-4-6-20)27(25-17)19-9-7-18(24)8-10-19/h2-10H,11-16H2,1H3
InChIKeyYZJNKMUIESGUAR-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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one (CID 46042750) is 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one is Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)N1CCOCC1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YZJNKMUIESGUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-17-21(11-12-22(28)26-13-15-29-16-14-26)23(30-20-5-3-2-4-6-20)27(25-17)19-9-7-18(24)8-10-19/h2-10H,11-16H2,1H3.
What are the key properties of 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-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-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 46042750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).