4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one

C18H20ClN3O2 — CID 84595134

IUPAC4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)c(C(=O)N2CCCC2c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H20ClN3O2/c1-11-12(2)20-21(3)17(23)16(11)18(24)22-9-5-8-15(22)13-6-4-7-14(19)10-13/h4,6-7,10,15H,5,8-9H2,1-3H3
InChIKeyHFVCETIORFTVPT-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.03
Rot. Bonds2

About 4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one

4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one (PubChem CID 84595134) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one
PubChem CID84595134
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)c(C(=O)N2CCCC2c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H20ClN3O2/c1-11-12(2)20-21(3)17(23)16(11)18(24)22-9-5-8-15(22)13-6-4-7-14(19)10-13/h4,6-7,10,15H,5,8-9H2,1-3H3
InChIKeyHFVCETIORFTVPT-UHFFFAOYSA-N
XLogP3.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one?
The IUPAC name of 4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one (CID 84595134) is 4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one.
What is the SMILES notation for 4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one?
The canonical SMILES for 4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one is Cc1nn(C)c(=O)c(C(=O)N2CCCC2c2cccc(Cl)c2)c1C.
What is the InChIKey of 4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one?
The InChIKey is HFVCETIORFTVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11-12(2)20-21(3)17(23)16(11)18(24)22-9-5-8-15(22)13-6-4-7-14(19)10-13/h4,6-7,10,15H,5,8-9H2,1-3H3.
What are the key properties of 4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one?
4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one has a molecular weight of 345.83 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one is sourced from PubChem (CID 84595134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).