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

C16H15BrClN3O2 — CID 1474957

IUPAC4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)c(Br)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClN3O2/c17-15-13(20-7-1-2-8-20)9-19-21(16(15)23)10-14(22)11-3-5-12(18)6-4-11/h3-6,9H,1-2,7-8,10H2
InChIKeyJERXRHLAMRQRHX-UHFFFAOYSA-N
MW396.67 g/mol
LogP3.14
Rot. Bonds4

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

4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 1474957) has the molecular formula C16H15BrClN3O2 and a molecular weight of 396.67 g/mol. Its IUPAC name is 4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID1474957
Molecular FormulaC16H15BrClN3O2
Molecular Weight396.67 g/mol
Exact Mass395.00
IUPAC Name4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)c(Br)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClN3O2/c17-15-13(20-7-1-2-8-20)9-19-21(16(15)23)10-14(22)11-3-5-12(18)6-4-11/h3-6,9H,1-2,7-8,10H2
InChIKeyJERXRHLAMRQRHX-UHFFFAOYSA-N
XLogP3.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 1474957) is 4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=C(Cn1ncc(N2CCCC2)c(Br)c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is JERXRHLAMRQRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O2/c17-15-13(20-7-1-2-8-20)9-19-21(16(15)23)10-14(22)11-3-5-12(18)6-4-11/h3-6,9H,1-2,7-8,10H2.
What are the key properties of 4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 396.67 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 1474957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).