3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one

C24H26FN3O4 — CID 46042574

IUPAC3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(-n2nc(C)c(CCC(=O)N3CCOCC3)c2Oc2ccccc2F)cc1
InChIInChI=1S/C24H26FN3O4/c1-17-20(11-12-23(29)27-13-15-31-16-14-27)24(32-22-6-4-3-5-21(22)25)28(26-17)18-7-9-19(30-2)10-8-18/h3-10H,11-16H2,1-2H3
InChIKeyCHGUNPVVJYOCEQ-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.91
Rot. Bonds7

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

3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 46042574) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID46042574
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC Name3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(-n2nc(C)c(CCC(=O)N3CCOCC3)c2Oc2ccccc2F)cc1
InChIInChI=1S/C24H26FN3O4/c1-17-20(11-12-23(29)27-13-15-31-16-14-27)24(32-22-6-4-3-5-21(22)25)28(26-17)18-7-9-19(30-2)10-8-18/h3-10H,11-16H2,1-2H3
InChIKeyCHGUNPVVJYOCEQ-UHFFFAOYSA-N
XLogP3.91
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one (CID 46042574) is 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one is COc1ccc(-n2nc(C)c(CCC(=O)N3CCOCC3)c2Oc2ccccc2F)cc1.
What is the InChIKey of 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is CHGUNPVVJYOCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-17-20(11-12-23(29)27-13-15-31-16-14-27)24(32-22-6-4-3-5-21(22)25)28(26-17)18-7-9-19(30-2)10-8-18/h3-10H,11-16H2,1-2H3.
What are the key properties of 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 439.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 46042574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).