4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

C16H15Cl2N3O2 — CID 1474953

IUPAC4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)c(Cl)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-5-3-11(4-6-12)14(22)10-21-16(23)15(18)13(9-19-21)20-7-1-2-8-20/h3-6,9H,1-2,7-8,10H2
InChIKeyUBDPBJLBPJGYKZ-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.03
Rot. Bonds4

About 4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 1474953) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID1474953
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)c(Cl)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-5-3-11(4-6-12)14(22)10-21-16(23)15(18)13(9-19-21)20-7-1-2-8-20/h3-6,9H,1-2,7-8,10H2
InChIKeyUBDPBJLBPJGYKZ-UHFFFAOYSA-N
XLogP3.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 1474953) is 4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=C(Cn1ncc(N2CCCC2)c(Cl)c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is UBDPBJLBPJGYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-5-3-11(4-6-12)14(22)10-21-16(23)15(18)13(9-19-21)20-7-1-2-8-20/h3-6,9H,1-2,7-8,10H2.
What are the key properties of 4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 352.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 1474953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).