2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one

C16H18FN3O — CID 72871498

IUPAC2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCc1cccc(F)c1
InChIInChI=1S/C16H18FN3O/c17-14-5-3-4-13(10-14)6-9-20-16(21)11-15(12-18-20)19-7-1-2-8-19/h3-5,10-12H,1-2,6-9H2
InChIKeyINLRDZCPBMNKRG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.23
Rot. Bonds4

About 2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 72871498) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID72871498
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCc1cccc(F)c1
InChIInChI=1S/C16H18FN3O/c17-14-5-3-4-13(10-14)6-9-20-16(21)11-15(12-18-20)19-7-1-2-8-19/h3-5,10-12H,1-2,6-9H2
InChIKeyINLRDZCPBMNKRG-UHFFFAOYSA-N
XLogP2.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 72871498) is 2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=c1cc(N2CCCC2)cnn1CCc1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is INLRDZCPBMNKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-14-5-3-4-13(10-14)6-9-20-16(21)11-15(12-18-20)19-7-1-2-8-19/h3-5,10-12H,1-2,6-9H2.
What are the key properties of 2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 287.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72871498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).