5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one

C14H22N4O — CID 104734766

IUPAC5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCNC(Cn1ccn2nccc2c1=O)C(C)C
InChIInChI=1S/C14H22N4O/c1-4-6-15-12(11(2)3)10-17-8-9-18-13(14(17)19)5-7-16-18/h5,7-9,11-12,15H,4,6,10H2,1-3H3
InChIKeyTVIQJYFPVUPYNN-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.52
Rot. Bonds6

About 5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one

5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104734766) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104734766
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCNC(Cn1ccn2nccc2c1=O)C(C)C
InChIInChI=1S/C14H22N4O/c1-4-6-15-12(11(2)3)10-17-8-9-18-13(14(17)19)5-7-16-18/h5,7-9,11-12,15H,4,6,10H2,1-3H3
InChIKeyTVIQJYFPVUPYNN-UHFFFAOYSA-N
XLogP1.52
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-cyclopropyl-2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734770
5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734768
5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735161
5-butylpyrazolo[1,5-a]pyrazin-4-one
CID 154883945
5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734857
5-[3-(cyclopropylamino)-2-methylpropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 113446769
5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one
CID 104735134
5-[2-cyclopropyl-2-(methylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734789
5-[2-cyclopentyl-2-(methylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748219
5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735255
5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446718
5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735396

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104734766) is 5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one is CCCNC(Cn1ccn2nccc2c1=O)C(C)C.
What is the InChIKey of 5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is TVIQJYFPVUPYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-6-15-12(11(2)3)10-17-8-9-18-13(14(17)19)5-7-16-18/h5,7-9,11-12,15H,4,6,10H2,1-3H3.
What are the key properties of 5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 262.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104734766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).