5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one

C13H18N4O — CID 104734984

IUPAC5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2ccnn2ccn1CCC1CCCCN1
InChIInChI=1S/C13H18N4O/c18-13-12-4-7-15-17(12)10-9-16(13)8-5-11-3-1-2-6-14-11/h4,7,9-11,14H,1-3,5-6,8H2
InChIKeyCDMXMVCFXJTHQC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.03
Rot. Bonds3

About 5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one

5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104734984) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104734984
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2ccnn2ccn1CCC1CCCCN1
InChIInChI=1S/C13H18N4O/c18-13-12-4-7-15-17(12)10-9-16(13)8-5-11-3-1-2-6-14-11/h4,7,9-11,14H,1-3,5-6,8H2
InChIKeyCDMXMVCFXJTHQC-UHFFFAOYSA-N
XLogP1.03
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-cyclopentyl-2-(methylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748219
5-fluoro-1-(2-piperidin-2-ylethyl)pyridin-2-one
CID 82147333
6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one
CID 82151396
3-(2-piperidin-2-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82105331
5-[2-cyclopropyl-2-(methylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734789
3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one
CID 63172875
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
CID 61348095
2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one
CID 117030133
1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one
CID 116563565
N-(piperidin-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrazin-4-amine
CID 106642414
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one (CID 104734984) is 5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one is O=c1c2ccnn2ccn1CCC1CCCCN1.
What is the InChIKey of 5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CDMXMVCFXJTHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-13-12-4-7-15-17(12)10-9-16(13)8-5-11-3-1-2-6-14-11/h4,7,9-11,14H,1-3,5-6,8H2.
What are the key properties of 5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one?
5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 246.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104734984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).