1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone

C14H18N4O — CID 113446200

IUPAC1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1c1nccn2nc(C)cc12
InChIInChI=1S/C14H18N4O/c1-10-9-13-14(15-6-8-18(13)16-10)17-7-4-3-5-12(17)11(2)19/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyNYICPFWFYLPHGD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.99
Rot. Bonds2

About 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone

1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone (PubChem CID 113446200) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone
PubChem CID113446200
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1c1nccn2nc(C)cc12
InChIInChI=1S/C14H18N4O/c1-10-9-13-14(15-6-8-18(13)16-10)17-7-4-3-5-12(17)11(2)19/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyNYICPFWFYLPHGD-UHFFFAOYSA-N
XLogP1.99
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone (CID 113446200) is 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1c1nccn2nc(C)cc12.
What is the InChIKey of 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone?
The InChIKey is NYICPFWFYLPHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-9-13-14(15-6-8-18(13)16-10)17-7-4-3-5-12(17)11(2)19/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone?
1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone has a molecular weight of 258.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone is sourced from PubChem (CID 113446200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).