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

C24H25FN4O4 — CID 170922630

IUPAC4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
SMILESCCOc1cc(C(C2C(=O)NN=C2C)C2C(=O)NN=C2C)ccc1OCc1ccccc1F
InChIInChI=1S/C24H25FN4O4/c1-4-32-19-11-15(9-10-18(19)33-12-16-7-5-6-8-17(16)25)22(20-13(2)26-28-23(20)30)21-14(3)27-29-24(21)31/h5-11,20-22H,4,12H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyGKYJGOOLJSWMMJ-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.13
Rot. Bonds8

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

4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 170922630) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
PubChem CID170922630
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
SMILESCCOc1cc(C(C2C(=O)NN=C2C)C2C(=O)NN=C2C)ccc1OCc1ccccc1F
InChIInChI=1S/C24H25FN4O4/c1-4-32-19-11-15(9-10-18(19)33-12-16-7-5-6-8-17(16)25)22(20-13(2)26-28-23(20)30)21-14(3)27-29-24(21)31/h5-11,20-22H,4,12H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyGKYJGOOLJSWMMJ-UHFFFAOYSA-N
XLogP3.13
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one (CID 170922630) is 4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one is CCOc1cc(C(C2C(=O)NN=C2C)C2C(=O)NN=C2C)ccc1OCc1ccccc1F.
What is the InChIKey of 4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is GKYJGOOLJSWMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-4-32-19-11-15(9-10-18(19)33-12-16-7-5-6-8-17(16)25)22(20-13(2)26-28-23(20)30)21-14(3)27-29-24(21)31/h5-11,20-22H,4,12H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one has a molecular weight of 452.49 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 170922630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).