1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone

C12H19N3O — CID 79539659

IUPAC1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
SMILESCCn1cc(C(=O)CC2CCCCN2)cn1
InChIInChI=1S/C12H19N3O/c1-2-15-9-10(8-14-15)12(16)7-11-5-3-4-6-13-11/h8-9,11,13H,2-7H2,1H3
InChIKeyCILDOZCVGGXGJF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone

1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone (PubChem CID 79539659) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
PubChem CID79539659
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
SMILESCCn1cc(C(=O)CC2CCCCN2)cn1
InChIInChI=1S/C12H19N3O/c1-2-15-9-10(8-14-15)12(16)7-11-5-3-4-6-13-11/h8-9,11,13H,2-7H2,1H3
InChIKeyCILDOZCVGGXGJF-UHFFFAOYSA-N
XLogP1.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
CID 116563541
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-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(1-propylpyrazol-4-yl)ethanone
CID 116595366
3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
CID 114964350
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
2-(1,1-dioxothiolan-3-yl)-1-(1-ethylpyrazol-4-yl)ethanone
CID 105083234
2-(azepan-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 106758315
1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone
CID 116917154

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone (CID 79539659) is 1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone is CCn1cc(C(=O)CC2CCCCN2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone?
The InChIKey is CILDOZCVGGXGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-9-10(8-14-15)12(16)7-11-5-3-4-6-13-11/h8-9,11,13H,2-7H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone?
1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone has a molecular weight of 221.30 g/mol, XLogP of 1.62, 4 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)-2-piperidin-2-ylethanone is sourced from PubChem (CID 79539659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).