2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone

C16H27N3O — CID 116569789

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2cc(C)nn2CC)CCCNC1
InChIInChI=1S/C16H27N3O/c1-4-7-16(8-6-9-17-12-16)15(20)11-14-10-13(3)18-19(14)5-2/h10,17H,4-9,11-12H2,1-3H3
InChIKeyHNNLDZAMOAOHPK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.49
Rot. Bonds6

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone (PubChem CID 116569789) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone
PubChem CID116569789
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2cc(C)nn2CC)CCCNC1
InChIInChI=1S/C16H27N3O/c1-4-7-16(8-6-9-17-12-16)15(20)11-14-10-13(3)18-19(14)5-2/h10,17H,4-9,11-12H2,1-3H3
InChIKeyHNNLDZAMOAOHPK-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone (CID 116569789) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone is CCCC1(C(=O)Cc2cc(C)nn2CC)CCCNC1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone?
The InChIKey is HNNLDZAMOAOHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-7-16(8-6-9-17-12-16)15(20)11-14-10-13(3)18-19(14)5-2/h10,17H,4-9,11-12H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone has a molecular weight of 277.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116569789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).