(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate

C18H22N4O3 — CID 55648945

IUPAC(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OCC(=O)N2CCCCC2)cnn1-c1ccccn1
InChIInChI=1S/C18H22N4O3/c1-2-15-14(12-20-22(15)16-8-4-5-9-19-16)18(24)25-13-17(23)21-10-6-3-7-11-21/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3
InChIKeyPPQHWUHILXYVKR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.00
Rot. Bonds5

About (2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 55648945) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID55648945
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OCC(=O)N2CCCCC2)cnn1-c1ccccn1
InChIInChI=1S/C18H22N4O3/c1-2-15-14(12-20-22(15)16-8-4-5-9-19-16)18(24)25-13-17(23)21-10-6-3-7-11-21/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3
InChIKeyPPQHWUHILXYVKR-UHFFFAOYSA-N
XLogP2.00
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate with MolForge

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Related Compounds

1-[4-(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56522038
[2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648854
5-ethyl-1-pyridin-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55604055
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648943
[2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648975
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 38027002
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605128
[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55629618
(4-benzylsulfanylphenyl)methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 166336013
5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 28606394
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441256

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 55648945) is (2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate is CCc1c(C(=O)OCC(=O)N2CCCCC2)cnn1-c1ccccn1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is PPQHWUHILXYVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-15-14(12-20-22(15)16-8-4-5-9-19-16)18(24)25-13-17(23)21-10-6-3-7-11-21/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 55648945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).