1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one

C13H19N3O2 — CID 66121196

IUPAC1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
SMILESCCc1cc(C(=O)N2CCC(=O)CC2)n(CC)n1
InChIInChI=1S/C13H19N3O2/c1-3-10-9-12(16(4-2)14-10)13(18)15-7-5-11(17)6-8-15/h9H,3-8H2,1-2H3
InChIKeyVPXJEBHTYYXJHQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.27
Rot. Bonds3

About 1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one

1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one (PubChem CID 66121196) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
PubChem CID66121196
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
SMILESCCc1cc(C(=O)N2CCC(=O)CC2)n(CC)n1
InChIInChI=1S/C13H19N3O2/c1-3-10-9-12(16(4-2)14-10)13(18)15-7-5-11(17)6-8-15/h9H,3-8H2,1-2H3
InChIKeyVPXJEBHTYYXJHQ-UHFFFAOYSA-N
XLogP1.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 66122379
(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121428
(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428724
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66122570
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 114802193
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
[2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 81210449
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one
CID 26320858

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one?
The IUPAC name of 1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one (CID 66121196) is 1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one is CCc1cc(C(=O)N2CCC(=O)CC2)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one?
The InChIKey is VPXJEBHTYYXJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-10-9-12(16(4-2)14-10)13(18)15-7-5-11(17)6-8-15/h9H,3-8H2,1-2H3.
What are the key properties of 1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one?
1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one has a molecular weight of 249.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one is sourced from PubChem (CID 66121196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).