1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one

C22H20ClN3O2 — CID 43041687

IUPAC1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC2c2ccccc2)nn1-c1ccccc1Cl
InChIInChI=1S/C22H20ClN3O2/c1-15-14-20(27)21(24-26(15)19-11-6-5-10-17(19)23)22(28)25-13-7-12-18(25)16-8-3-2-4-9-16/h2-6,8-11,14,18H,7,12-13H2,1H3
InChIKeyDJSYXSRMKHRONT-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.17
Rot. Bonds3

About 1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one

1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one (PubChem CID 43041687) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one
PubChem CID43041687
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC2c2ccccc2)nn1-c1ccccc1Cl
InChIInChI=1S/C22H20ClN3O2/c1-15-14-20(27)21(24-26(15)19-11-6-5-10-17(19)23)22(28)25-13-7-12-18(25)16-8-3-2-4-9-16/h2-6,8-11,14,18H,7,12-13H2,1H3
InChIKeyDJSYXSRMKHRONT-UHFFFAOYSA-N
XLogP4.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one
CID 51644039
1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 9082115
1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 35358897
3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one
CID 39966385
1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 120514979
3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119468055
(3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 30417532
1-(2-chlorophenyl)-6-methyl-N-(4-methylpiperazin-1-yl)-4-oxopyridazine-3-carboxamide
CID 9075107
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 55758691
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one
CID 119434975
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
(4-phenylphenyl) 1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 18268100

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one?
The IUPAC name of 1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one (CID 43041687) is 1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one.
What is the SMILES notation for 1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one?
The canonical SMILES for 1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one is Cc1cc(=O)c(C(=O)N2CCCC2c2ccccc2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one?
The InChIKey is DJSYXSRMKHRONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-15-14-20(27)21(24-26(15)19-11-6-5-10-17(19)23)22(28)25-13-7-12-18(25)16-8-3-2-4-9-16/h2-6,8-11,14,18H,7,12-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one?
1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one has a molecular weight of 393.87 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one is sourced from PubChem (CID 43041687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).