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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Related Compounds

4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one
CID 66261719
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 166240610
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
(6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 66463523
[2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone
CID 56966890
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872576
[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 130423553
2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950016
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 87007135
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
[2-(3-chlorophenyl)piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 120803531
[2-(3-chlorophenyl)-5-methyltriazol-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 24512784

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).