3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one

C17H19N3O2 — CID 154857691

IUPAC3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(c3ccccc3)C2)c1C
InChIInChI=1S/C17H19N3O2/c1-11-12(2)18-19-16(21)15(11)17(22)20-9-8-14(10-20)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,19,21)
InChIKeyNCJOFHUMZBEWGO-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.02
Rot. Bonds2

About 3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one

3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 154857691) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID154857691
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(c3ccccc3)C2)c1C
InChIInChI=1S/C17H19N3O2/c1-11-12(2)18-19-16(21)15(11)17(22)20-9-8-14(10-20)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,19,21)
InChIKeyNCJOFHUMZBEWGO-UHFFFAOYSA-N
XLogP2.02
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
CID 114679803
5-[(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 99818989
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 115775106
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
5-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 167911206
(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 136579737
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate
CID 43431338
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154872040
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one (CID 154857691) is 3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(=O)N2CCC(c3ccccc3)C2)c1C.
What is the InChIKey of 3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is NCJOFHUMZBEWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-12(2)18-19-16(21)15(11)17(22)20-9-8-14(10-20)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,19,21).
What are the key properties of 3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 297.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 154857691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).