1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one

C13H21N3O — CID 116563541

IUPAC1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
SMILESCCn1cc(C(=O)CCC2CCCCN2)cn1
InChIInChI=1S/C13H21N3O/c1-2-16-10-11(9-15-16)13(17)7-6-12-5-3-4-8-14-12/h9-10,12,14H,2-8H2,1H3
InChIKeyYMTRVTHULBEBBZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one

1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one (PubChem CID 116563541) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
PubChem CID116563541
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
SMILESCCn1cc(C(=O)CCC2CCCCN2)cn1
InChIInChI=1S/C13H21N3O/c1-2-16-10-11(9-15-16)13(17)7-6-12-5-3-4-8-14-12/h9-10,12,14H,2-8H2,1H3
InChIKeyYMTRVTHULBEBBZ-UHFFFAOYSA-N
XLogP2.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
CID 79539659
3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
CID 114964350
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563575
1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563790
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437
1-(1-methylpyrazol-4-yl)-4-piperidin-2-ylbutan-2-one
CID 116563728
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one
CID 116563565

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one (CID 116563541) is 1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one is CCn1cc(C(=O)CCC2CCCCN2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is YMTRVTHULBEBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-10-11(9-15-16)13(17)7-6-12-5-3-4-8-14-12/h9-10,12,14H,2-8H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one?
1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 116563541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).