1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one

C14H19N5O2 — CID 22969696

IUPAC1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCCn2cccn2)c1=O
InChIInChI=1S/C14H19N5O2/c1-3-12(11(2)20)19-10-7-16-13(14(19)21)15-6-9-18-8-4-5-17-18/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyJYCHBQPPOWVXPD-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.09
Rot. Bonds7

About 1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one

1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one (PubChem CID 22969696) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one
PubChem CID22969696
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCCn2cccn2)c1=O
InChIInChI=1S/C14H19N5O2/c1-3-12(11(2)20)19-10-7-16-13(14(19)21)15-6-9-18-8-4-5-17-18/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyJYCHBQPPOWVXPD-UHFFFAOYSA-N
XLogP1.09
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one (CID 22969696) is 1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one is CCC(C(C)=O)n1ccnc(NCCn2cccn2)c1=O.
What is the InChIKey of 1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one?
The InChIKey is JYCHBQPPOWVXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-12(11(2)20)19-10-7-16-13(14(19)21)15-6-9-18-8-4-5-17-18/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one?
1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one has a molecular weight of 289.34 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 22969696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).