4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

C24H25FN4O4 — CID 4680654

IUPAC4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C24H25FN4O4/c1-4-32-19-11-16(7-10-18(19)33-12-15-5-8-17(25)9-6-15)22(20-13(2)26-28-23(20)30)21-14(3)27-29-24(21)31/h5-11,22H,4,12H2,1-3H3,(H2,26,28,30)(H2,27,29,31)
InChIKeyFIZUUOXAFRDYJT-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.63
Rot. Bonds8

About 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 4680654) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID4680654
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C24H25FN4O4/c1-4-32-19-11-16(7-10-18(19)33-12-15-5-8-17(25)9-6-15)22(20-13(2)26-28-23(20)30)21-14(3)27-29-24(21)31/h5-11,22H,4,12H2,1-3H3,(H2,26,28,30)(H2,27,29,31)
InChIKeyFIZUUOXAFRDYJT-UHFFFAOYSA-N
XLogP3.63
TPSA115.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one (CID 4680654) is 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one is CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is FIZUUOXAFRDYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-4-32-19-11-16(7-10-18(19)33-12-15-5-8-17(25)9-6-15)22(20-13(2)26-28-23(20)30)21-14(3)27-29-24(21)31/h5-11,22H,4,12H2,1-3H3,(H2,26,28,30)(H2,27,29,31).
What are the key properties of 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 452.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 4680654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).