2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone

C24H25F2N3O5 — CID 167212258

IUPAC2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(COc2cc(-c3ccn(CC(=O)N4CCOCC4)n3)ccc2OC(F)F)cc1
InChIInChI=1S/C24H25F2N3O5/c1-31-19-5-2-17(3-6-19)16-33-22-14-18(4-7-21(22)34-24(25)26)20-8-9-29(27-20)15-23(30)28-10-12-32-13-11-28/h2-9,14,24H,10-13,15-16H2,1H3
InChIKeyIDHIVTRDORQRBA-UHFFFAOYSA-N
MW473.48 g/mol
LogP3.60
Rot. Bonds9

About 2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone

2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 167212258) has the molecular formula C24H25F2N3O5 and a molecular weight of 473.48 g/mol. Its IUPAC name is 2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID167212258
Molecular FormulaC24H25F2N3O5
Molecular Weight473.48 g/mol
Exact Mass473.18
IUPAC Name2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(COc2cc(-c3ccn(CC(=O)N4CCOCC4)n3)ccc2OC(F)F)cc1
InChIInChI=1S/C24H25F2N3O5/c1-31-19-5-2-17(3-6-19)16-33-22-14-18(4-7-21(22)34-24(25)26)20-8-9-29(27-20)15-23(30)28-10-12-32-13-11-28/h2-9,14,24H,10-13,15-16H2,1H3
InChIKeyIDHIVTRDORQRBA-UHFFFAOYSA-N
XLogP3.60
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone (CID 167212258) is 2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone is COc1ccc(COc2cc(-c3ccn(CC(=O)N4CCOCC4)n3)ccc2OC(F)F)cc1.
What is the InChIKey of 2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is IDHIVTRDORQRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O5/c1-31-19-5-2-17(3-6-19)16-33-22-14-18(4-7-21(22)34-24(25)26)20-8-9-29(27-20)15-23(30)28-10-12-32-13-11-28/h2-9,14,24H,10-13,15-16H2,1H3.
What are the key properties of 2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone?
2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 473.48 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 167212258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).