5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

C12H18N4O — CID 104734854

IUPAC5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCCNCCCn1ccn2nc(C)cc2c1=O
InChIInChI=1S/C12H18N4O/c1-3-13-5-4-6-15-7-8-16-11(12(15)17)9-10(2)14-16/h7-9,13H,3-6H2,1-2H3
InChIKeyDNBPMPQBWRZDRJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.80
Rot. Bonds5

About 5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104734854) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID104734854
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCCNCCCn1ccn2nc(C)cc2c1=O
InChIInChI=1S/C12H18N4O/c1-3-13-5-4-6-15-7-8-16-11(12(15)17)9-10(2)14-16/h7-9,13H,3-6H2,1-2H3
InChIKeyDNBPMPQBWRZDRJ-UHFFFAOYSA-N
XLogP0.80
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735472
5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735476
2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735453
5-(4-hydroxyhexyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 106802608
5-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446803
methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
CID 104734631
5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735171
3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
CID 104734922
5-[2-[(4-bromothiophen-2-yl)methylamino]ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735465
5-[2-[2-(ethylamino)cyclopentyl]ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734847
2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735481

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 104734854) is 5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is CCNCCCn1ccn2nc(C)cc2c1=O.
What is the InChIKey of 5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DNBPMPQBWRZDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-13-5-4-6-15-7-8-16-11(12(15)17)9-10(2)14-16/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 234.30 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104734854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).