1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one

C14H19N5O — CID 121020704

IUPAC1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one
SMILESCn1ccc(C2CCN(c3nccn(C)c3=O)CC2)n1
InChIInChI=1S/C14H19N5O/c1-17-10-6-15-13(14(17)20)19-8-3-11(4-9-19)12-5-7-18(2)16-12/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyWROMVOVHZOAUAJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.90
Rot. Bonds2

About 1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one

1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one (PubChem CID 121020704) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one
PubChem CID121020704
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one
SMILESCn1ccc(C2CCN(c3nccn(C)c3=O)CC2)n1
InChIInChI=1S/C14H19N5O/c1-17-10-6-15-13(14(17)20)19-8-3-11(4-9-19)12-5-7-18(2)16-12/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyWROMVOVHZOAUAJ-UHFFFAOYSA-N
XLogP0.90
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one (CID 121020704) is 1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one is Cn1ccc(C2CCN(c3nccn(C)c3=O)CC2)n1.
What is the InChIKey of 1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one?
The InChIKey is WROMVOVHZOAUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-17-10-6-15-13(14(17)20)19-8-3-11(4-9-19)12-5-7-18(2)16-12/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one?
1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one has a molecular weight of 273.34 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 121020704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).