2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone

C15H25N3O — CID 116548098

IUPAC2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone
SMILESCCC(CC)n1ccc(CC(=O)C2CCCNC2)n1
InChIInChI=1S/C15H25N3O/c1-3-14(4-2)18-9-7-13(17-18)10-15(19)12-6-5-8-16-11-12/h7,9,12,14,16H,3-6,8,10-11H2,1-2H3
InChIKeyHEBNEXOOGNWLEF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.36
Rot. Bonds6

About 2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone

2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone (PubChem CID 116548098) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone.

Molecular Properties

Compound Name2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone
PubChem CID116548098
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone
SMILESCCC(CC)n1ccc(CC(=O)C2CCCNC2)n1
InChIInChI=1S/C15H25N3O/c1-3-14(4-2)18-9-7-13(17-18)10-15(19)12-6-5-8-16-11-12/h7,9,12,14,16H,3-6,8,10-11H2,1-2H3
InChIKeyHEBNEXOOGNWLEF-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanone
CID 105106219
2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568445
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
CID 116548028
1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 116568161
1-(azetidin-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116583711
2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
CID 116548056
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
1-(azepan-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116582497
2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 106779641
N,N-diethylpiperidine-3-carboxamide
CID 18793
2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963

Frequently Asked Questions

What is the IUPAC name of 2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone?
The IUPAC name of 2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone (CID 116548098) is 2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone.
What is the SMILES notation for 2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone?
The canonical SMILES for 2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone is CCC(CC)n1ccc(CC(=O)C2CCCNC2)n1.
What is the InChIKey of 2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone?
The InChIKey is HEBNEXOOGNWLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-14(4-2)18-9-7-13(17-18)10-15(19)12-6-5-8-16-11-12/h7,9,12,14,16H,3-6,8,10-11H2,1-2H3.
What are the key properties of 2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone?
2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone has a molecular weight of 263.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone is sourced from PubChem (CID 116548098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).