1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone

C17H29N3O — CID 116568161

IUPAC1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
SMILESCCC(CC)n1ccc(CC(=O)C2(CC)CCNCC2)n1
InChIInChI=1S/C17H29N3O/c1-4-15(5-2)20-12-7-14(19-20)13-16(21)17(6-3)8-10-18-11-9-17/h7,12,15,18H,4-6,8-11,13H2,1-3H3
InChIKeyJMEPYFFLNIMRAZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.14
Rot. Bonds7

About 1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone

1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone (PubChem CID 116568161) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
PubChem CID116568161
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
SMILESCCC(CC)n1ccc(CC(=O)C2(CC)CCNCC2)n1
InChIInChI=1S/C17H29N3O/c1-4-15(5-2)20-12-7-14(19-20)13-16(21)17(6-3)8-10-18-11-9-17/h7,12,15,18H,4-6,8-11,13H2,1-3H3
InChIKeyJMEPYFFLNIMRAZ-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-(1-methyl-2-piperidinyl)propanamide
CID 72867210
N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide
CID 95633486
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1-methylcyclohexanecarboxamide
CID 118793056
4-Ethyl-7,7-dimethyl-4-(1-methylpyrazol-3-yl)-3,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 177893623
2-[2-Fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine
CID 103023215
2-[2-Fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine
CID 103132906
2-(1-Butan-2-ylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone
CID 105105449
2-(1-Propan-2-ylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105105580
2-(1-Propan-2-ylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105105584
2-(1-Propan-2-ylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105105630
1-(4,4-Difluorocyclohexyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 105106269
2-(1-Cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone
CID 105107293

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone (CID 116568161) is 1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone is CCC(CC)n1ccc(CC(=O)C2(CC)CCNCC2)n1.
What is the InChIKey of 1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The InChIKey is JMEPYFFLNIMRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-15(5-2)20-12-7-14(19-20)13-16(21)17(6-3)8-10-18-11-9-17/h7,12,15,18H,4-6,8-11,13H2,1-3H3.
What are the key properties of 1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone has a molecular weight of 291.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116568161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).