1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one

C17H17F2N3O3 — CID 53157766

IUPAC1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one
SMILESCCOc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N3O3/c1-2-25-15-10-14(23)16(17(24)21-7-3-4-8-21)20-22(15)11-5-6-12(18)13(19)9-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyKNRBUHGCWYNGJF-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.15
Rot. Bonds4

About 1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one

1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one (PubChem CID 53157766) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one
PubChem CID53157766
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one
SMILESCCOc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N3O3/c1-2-25-15-10-14(23)16(17(24)21-7-3-4-8-21)20-22(15)11-5-6-12(18)13(19)9-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyKNRBUHGCWYNGJF-UHFFFAOYSA-N
XLogP2.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one?
The IUPAC name of 1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one (CID 53157766) is 1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one is CCOc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one?
The InChIKey is KNRBUHGCWYNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-2-25-15-10-14(23)16(17(24)21-7-3-4-8-21)20-22(15)11-5-6-12(18)13(19)9-11/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one?
1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one has a molecular weight of 349.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one is sourced from PubChem (CID 53157766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).