1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one

C23H20F2N4O3 — CID 57256857

IUPAC1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one
SMILESO=C(COn1nccc1Cc1ccc(F)cc1)COn1nccc1Cc1ccc(F)cc1
InChIInChI=1S/C23H20F2N4O3/c24-19-5-1-17(2-6-19)13-21-9-11-26-28(21)31-15-23(30)16-32-29-22(10-12-27-29)14-18-3-7-20(25)8-4-18/h1-12H,13-16H2
InChIKeyYIMQUPRVWIECCL-UHFFFAOYSA-N
MW438.43 g/mol
LogP2.67
Rot. Bonds10

About 1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one

1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one (PubChem CID 57256857) has the molecular formula C23H20F2N4O3 and a molecular weight of 438.43 g/mol. Its IUPAC name is 1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one.

Molecular Properties

Compound Name1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one
PubChem CID57256857
Molecular FormulaC23H20F2N4O3
Molecular Weight438.43 g/mol
Exact Mass438.15
IUPAC Name1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one
SMILESO=C(COn1nccc1Cc1ccc(F)cc1)COn1nccc1Cc1ccc(F)cc1
InChIInChI=1S/C23H20F2N4O3/c24-19-5-1-17(2-6-19)13-21-9-11-26-28(21)31-15-23(30)16-32-29-22(10-12-27-29)14-18-3-7-20(25)8-4-18/h1-12H,13-16H2
InChIKeyYIMQUPRVWIECCL-UHFFFAOYSA-N
XLogP2.67
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one?
The IUPAC name of 1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one (CID 57256857) is 1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one.
What is the SMILES notation for 1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one?
The canonical SMILES for 1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one is O=C(COn1nccc1Cc1ccc(F)cc1)COn1nccc1Cc1ccc(F)cc1.
What is the InChIKey of 1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one?
The InChIKey is YIMQUPRVWIECCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3/c24-19-5-1-17(2-6-19)13-21-9-11-26-28(21)31-15-23(30)16-32-29-22(10-12-27-29)14-18-3-7-20(25)8-4-18/h1-12H,13-16H2.
What are the key properties of 1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one?
1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one has a molecular weight of 438.43 g/mol, XLogP of 2.67, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one is sourced from PubChem (CID 57256857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).