3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one

C16H21N5O — CID 95845451

IUPAC3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C16H21N5O/c1-13-2-6-19-21(13)11-5-16(22)20-9-3-14(4-10-20)15-12-17-7-8-18-15/h2,6-8,12,14H,3-5,9-11H2,1H3
InChIKeyQUILNCXWZJTVLG-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.78
Rot. Bonds4

About 3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one

3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 95845451) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
PubChem CID95845451
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C16H21N5O/c1-13-2-6-19-21(13)11-5-16(22)20-9-3-14(4-10-20)15-12-17-7-8-18-15/h2,6-8,12,14H,3-5,9-11H2,1H3
InChIKeyQUILNCXWZJTVLG-UHFFFAOYSA-N
XLogP1.78
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one (CID 95845451) is 3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCC(c2cnccn2)CC1.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is QUILNCXWZJTVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13-2-6-19-21(13)11-5-16(22)20-9-3-14(4-10-20)15-12-17-7-8-18-15/h2,6-8,12,14H,3-5,9-11H2,1H3.
What are the key properties of 3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 299.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 95845451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).