ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate

C15H23N3O3 — CID 45199094

IUPACethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H23N3O3/c1-3-7-13(15(20)21-4-2)18-14(19)10-12(11-16-18)17-8-5-6-9-17/h10-11,13H,3-9H2,1-2H3
InChIKeyHYFUAMAPFHDBCL-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.75
Rot. Bonds6

About ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate

ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate (PubChem CID 45199094) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate
PubChem CID45199094
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H23N3O3/c1-3-7-13(15(20)21-4-2)18-14(19)10-12(11-16-18)17-8-5-6-9-17/h10-11,13H,3-9H2,1-2H3
InChIKeyHYFUAMAPFHDBCL-UHFFFAOYSA-N
XLogP1.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate
CID 30956732
5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one
CID 114396318
ethyl (E)-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)but-2-enoate
CID 114393911
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
ethyl 2-(4-methylpyrazol-1-yl)pentanoate
CID 83037654
2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114395377
2-(2-hydroxypentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114397165
ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate
CID 7658883
2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide
CID 114398451
2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202211
ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)pentanoate
CID 83037840

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate?
The IUPAC name of ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate (CID 45199094) is ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate is CCCC(C(=O)OCC)n1ncc(N2CCCC2)cc1=O.
What is the InChIKey of ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate?
The InChIKey is HYFUAMAPFHDBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-7-13(15(20)21-4-2)18-14(19)10-12(11-16-18)17-8-5-6-9-17/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate?
ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate has a molecular weight of 293.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate is sourced from PubChem (CID 45199094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).