2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one

C14H19N5O — CID 126947361

IUPAC2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one
SMILESCc1cnn(C2CCN(Cc3ccnn(C)c3=O)C2)c1
InChIInChI=1S/C14H19N5O/c1-11-7-16-19(8-11)13-4-6-18(10-13)9-12-3-5-15-17(2)14(12)20/h3,5,7-8,13H,4,6,9-10H2,1-2H3
InChIKeyAUMHJIWMNRAUJK-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.73
Rot. Bonds3

About 2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one

2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one (PubChem CID 126947361) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one
PubChem CID126947361
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one
SMILESCc1cnn(C2CCN(Cc3ccnn(C)c3=O)C2)c1
InChIInChI=1S/C14H19N5O/c1-11-7-16-19(8-11)13-4-6-18(10-13)9-12-3-5-15-17(2)14(12)20/h3,5,7-8,13H,4,6,9-10H2,1-2H3
InChIKeyAUMHJIWMNRAUJK-UHFFFAOYSA-N
XLogP0.73
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]morpholine
CID 126947279
1-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepane
CID 126947336
4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole
CID 126947449
3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126947354
5-cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 126947443
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole
CID 126947287
3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 126768056
3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 139003136
1-methyl-3-[1-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948640
3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126947553
[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752882

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one (CID 126947361) is 2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one is Cc1cnn(C2CCN(Cc3ccnn(C)c3=O)C2)c1.
What is the InChIKey of 2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one?
The InChIKey is AUMHJIWMNRAUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-7-16-19(8-11)13-4-6-18(10-13)9-12-3-5-15-17(2)14(12)20/h3,5,7-8,13H,4,6,9-10H2,1-2H3.
What are the key properties of 2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one?
2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one has a molecular weight of 273.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126947361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).