3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one

C24H25F2N3O3 — CID 46042964

IUPAC3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cccc(-n2nc(C)c(CCC(=O)N3CCOCC3)c2Oc2ccc(F)cc2F)c1
InChIInChI=1S/C24H25F2N3O3/c1-16-4-3-5-19(14-16)29-24(32-22-8-6-18(25)15-21(22)26)20(17(2)27-29)7-9-23(30)28-10-12-31-13-11-28/h3-6,8,14-15H,7,9-13H2,1-2H3
InChIKeyWQYGYNOMERCBRS-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.35
Rot. Bonds6

About 3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one

3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 46042964) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID46042964
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cccc(-n2nc(C)c(CCC(=O)N3CCOCC3)c2Oc2ccc(F)cc2F)c1
InChIInChI=1S/C24H25F2N3O3/c1-16-4-3-5-19(14-16)29-24(32-22-8-6-18(25)15-21(22)26)20(17(2)27-29)7-9-23(30)28-10-12-31-13-11-28/h3-6,8,14-15H,7,9-13H2,1-2H3
InChIKeyWQYGYNOMERCBRS-UHFFFAOYSA-N
XLogP4.35
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one (CID 46042964) is 3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one is Cc1cccc(-n2nc(C)c(CCC(=O)N3CCOCC3)c2Oc2ccc(F)cc2F)c1.
What is the InChIKey of 3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is WQYGYNOMERCBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-16-4-3-5-19(14-16)29-24(32-22-8-6-18(25)15-21(22)26)20(17(2)27-29)7-9-23(30)28-10-12-31-13-11-28/h3-6,8,14-15H,7,9-13H2,1-2H3.
What are the key properties of 3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 441.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 46042964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).