3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one

C25H27F2N3O5 — CID 167212321

IUPAC3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(COc2cc(-c3ccn(CCC(=O)N4CCOCC4)n3)ccc2OC(F)F)cc1
InChIInChI=1S/C25H27F2N3O5/c1-32-20-5-2-18(3-6-20)17-34-23-16-19(4-7-22(23)35-25(26)27)21-8-10-30(28-21)11-9-24(31)29-12-14-33-15-13-29/h2-8,10,16,25H,9,11-15,17H2,1H3
InChIKeyIYPARYSIPVNSSX-UHFFFAOYSA-N
MW487.50 g/mol
LogP3.99
Rot. Bonds10

About 3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one

3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 167212321) has the molecular formula C25H27F2N3O5 and a molecular weight of 487.50 g/mol. Its IUPAC name is 3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID167212321
Molecular FormulaC25H27F2N3O5
Molecular Weight487.50 g/mol
Exact Mass487.19
IUPAC Name3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(COc2cc(-c3ccn(CCC(=O)N4CCOCC4)n3)ccc2OC(F)F)cc1
InChIInChI=1S/C25H27F2N3O5/c1-32-20-5-2-18(3-6-20)17-34-23-16-19(4-7-22(23)35-25(26)27)21-8-10-30(28-21)11-9-24(31)29-12-14-33-15-13-29/h2-8,10,16,25H,9,11-15,17H2,1H3
InChIKeyIYPARYSIPVNSSX-UHFFFAOYSA-N
XLogP3.99
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one (CID 167212321) is 3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one is COc1ccc(COc2cc(-c3ccn(CCC(=O)N4CCOCC4)n3)ccc2OC(F)F)cc1.
What is the InChIKey of 3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is IYPARYSIPVNSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O5/c1-32-20-5-2-18(3-6-20)17-34-23-16-19(4-7-22(23)35-25(26)27)21-8-10-30(28-21)11-9-24(31)29-12-14-33-15-13-29/h2-8,10,16,25H,9,11-15,17H2,1H3.
What are the key properties of 3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 487.50 g/mol, XLogP of 3.99, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 167212321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).